| |
- builtins.object
-
- AbrelaxApplication
- AlternativePairings
- KinematicControl
-
- CoordinateConstraintKC
- PairingStatEntry
- PairingStatistics
- StageID
- StrandConstraints
- Template
- Templates
- rosetta.protocols.jd2.archive.EvaluatedArchive(rosetta.protocols.jd2.archive.ArchiveBase)
-
- HedgeArchive
- rosetta.protocols.jd2.archive.NormalizedEvaluatedArchive(rosetta.protocols.jd2.archive.EvaluatedArchive)
-
- IterativeBase
-
- IterativeAbrelax
- IterativeCentroid
- IterativeFullatom
- rosetta.protocols.jumping.BaseJumpSetup(builtins.object)
-
- TemplateJumpSetup
-
- FixTemplateJumpSetup
- rosetta.protocols.moves.Mover(builtins.object)
-
- AbrelaxMover
- DomainAssembly
- FragmentSampler
-
- ConstraintFragmentSampler
- Protocol
-
- ClassicAbinitio
-
- FoldConstraints
-
- KinematicAbinitio
-
- JumpingFoldConstraintsWrapper
- KinematicTaskControl
-
- LoopJumpFoldCst
-
- DoubleLayerKinematicAbinitio
- MembraneAbinitio
- ResolutionSwitcher
- rosetta.protocols.moves.MoverCreator(builtins.object)
-
- DomainAssemblyCreator
- rosetta.protocols.moves.PoseCondition(builtins.object)
-
- AllResiduesChanged
class AbrelaxApplication(builtins.object) |
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application level code for Abrelax, Foldconstraints and JumpingFoldconstraints
WARNING WARNING WARNING. THREAD UNSAFE. INVOKES ConstraintFactory::replace_creator.
CODE THAT ABUSES SINGLETONS LIKE THIS OUGHT TO BE SHOT. |
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Methods defined here:
- __init__(...) from builtins.PyCapsule
- __init__(*args, **kwargs)
Overloaded function.
1. __init__(rosetta.protocols.abinitio.AbrelaxApplication) -> NoneType
2. __init__(self : rosetta.protocols.abinitio.AbrelaxApplication, : rosetta.protocols.abinitio.AbrelaxApplication) -> NoneType
- __new__(*args, **kwargs) from builtins.type
- Create and return a new object. See help(type) for accurate signature.
- add_constraints(...) from builtins.PyCapsule
- add_constraints(self : rosetta.protocols.abinitio.AbrelaxApplication, pose : rosetta.core.pose.Pose) -> NoneType
read constraint set (self-initializing) and connect it to pose
- add_evaluation(...) from builtins.PyCapsule
- add_evaluation(self : rosetta.protocols.abinitio.AbrelaxApplication, : rosetta.protocols.evaluation.PoseEvaluator) -> NoneType
add a PoseEvaluator derived instance for decoy-processing
- assign(...) from builtins.PyCapsule
- assign(self : rosetta.protocols.abinitio.AbrelaxApplication, : rosetta.protocols.abinitio.AbrelaxApplication) -> rosetta.protocols.abinitio.AbrelaxApplication
- check_filters(...) from builtins.PyCapsule
- check_filters(self : rosetta.protocols.abinitio.AbrelaxApplication, pose : rosetta.core.pose.Pose) -> bool
check if the given pose passes the set of abinitio filters.
- close_loops(...) from builtins.PyCapsule
- close_loops(self : rosetta.protocols.abinitio.AbrelaxApplication, pose : rosetta.core.pose.Pose, scorefxn : rosetta.core.scoring.ScoreFunction, tag : str) -> bool
return pose with simple fold-tree that has small <0.1 RMSD to input pose
- do_distributed_rerun(...) from builtins.PyCapsule
- do_distributed_rerun(rosetta.protocols.abinitio.AbrelaxApplication) -> NoneType
run process_decoy on all poses in silent-in file -- use of JobDistributor
- do_rerun(...) from builtins.PyCapsule
- do_rerun(rosetta.protocols.abinitio.AbrelaxApplication) -> NoneType
run process_decoy on all poses in silent-in file
- fold(...) from builtins.PyCapsule
- fold(self : rosetta.protocols.abinitio.AbrelaxApplication, extended_pose : rosetta.core.pose.Pose, prot_ptr : protocols::abinitio::Protocol) -> NoneType
run abrelax-type protocols
- multi_fast_relax(...) from builtins.PyCapsule
- multi_fast_relax(self : rosetta.protocols.abinitio.AbrelaxApplication, abinitio_protocol : protocols::abinitio::Protocol, : rosetta.core.scoring.ScoreFunction, jobdist : rosetta.protocols.jobdist.PlainSilentFileJobDistributor, curr_nstruct : int, curr_job : rosetta.protocols.jobdist.BasicJob) -> bool
relax multiple structures that are stored in abinitio_protocol.structure_store
- process_decoy(...) from builtins.PyCapsule
- process_decoy(self : rosetta.protocols.abinitio.AbrelaxApplication, pose : rosetta.core.pose.Pose, : rosetta.core.scoring.ScoreFunction, tag : str, : rosetta.core.io.silent.SilentStruct) -> NoneType
diagnostic stuff, i.e., computing numbers like an RMSD for each decoy and storing in silent-score-file
put everything in here. --- actually it mainly calls the evaluator_->apply method.
add diagnostic stuff either here as explicit code or
in form of a PoseEvaluator to evaluator_ ( see setup () )
the latter has the advantage that the specific evaluation can be carried out during the run of the protocol
e.g., for abinitio:debug ( output to stage1_outfile stage2_outfile... )
- register_options(...) from builtins.PyCapsule
- register_options() -> NoneType
- relax(...) from builtins.PyCapsule
- relax(self : rosetta.protocols.abinitio.AbrelaxApplication, pose : rosetta.core.pose.Pose, : rosetta.core.scoring.ScoreFunction, tag : str) -> NoneType
relax structure ( fast / classic as controlled by cmd-options )
- run(...) from builtins.PyCapsule
- run(rosetta.protocols.abinitio.AbrelaxApplication) -> NoneType
run application code: calls do_rerun() or fold() depending on cmd-options
- setup(...) from builtins.PyCapsule
- setup(rosetta.protocols.abinitio.AbrelaxApplication) -> NoneType
initialization of application: read some pdb files, set evaluator_
- setup_fold(...) from builtins.PyCapsule
- setup_fold(self : rosetta.protocols.abinitio.AbrelaxApplication, extended_pose : rosetta.core.pose.Pose, prot_ptr : protocols::abinitio::Protocol) -> NoneType
setup everything needed for fold() --- calls helper functions below
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class AbrelaxMover(rosetta.protocols.moves.Mover) |
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- Method resolution order:
- AbrelaxMover
- rosetta.protocols.moves.Mover
- builtins.object
Methods defined here:
- __init__(...) from builtins.PyCapsule
- __init__(*args, **kwargs)
Overloaded function.
1. __init__(handle) -> NoneType
2. __init__(handle, rosetta.protocols.abinitio.AbrelaxMover) -> NoneType
- __new__(*args, **kwargs) from builtins.type
- Create and return a new object. See help(type) for accurate signature.
- apply(...) from builtins.PyCapsule
- apply(self : rosetta.protocols.abinitio.AbrelaxMover, pose : rosetta.core.pose.Pose) -> NoneType
- assign(...) from builtins.PyCapsule
- assign(self : rosetta.protocols.abinitio.AbrelaxMover, : rosetta.protocols.abinitio.AbrelaxMover) -> rosetta.protocols.abinitio.AbrelaxMover
- clear(...) from builtins.PyCapsule
- clear(rosetta.protocols.abinitio.AbrelaxMover) -> NoneType
- closure_protocol(...) from builtins.PyCapsule
- closure_protocol(*args, **kwargs)
Overloaded function.
1. closure_protocol(rosetta.protocols.abinitio.AbrelaxMover) -> protocols::loops::loop_closure::ccd::SlidingWindowLoopClosure
2. closure_protocol(self : rosetta.protocols.abinitio.AbrelaxMover, set : protocols::loops::loop_closure::ccd::SlidingWindowLoopClosure) -> NoneType
- fresh_instance(...) from builtins.PyCapsule
- fresh_instance(rosetta.protocols.abinitio.AbrelaxMover) -> rosetta.protocols.moves.Mover
- get_name(...) from builtins.PyCapsule
- get_name(rosetta.protocols.abinitio.AbrelaxMover) -> str
- post_loop_closure_protocol(...) from builtins.PyCapsule
- post_loop_closure_protocol(self : rosetta.protocols.abinitio.AbrelaxMover, move : rosetta.protocols.moves.Mover) -> NoneType
- pre_loop_closure_protocol(...) from builtins.PyCapsule
- pre_loop_closure_protocol(self : rosetta.protocols.abinitio.AbrelaxMover, move : rosetta.protocols.moves.Mover) -> NoneType
- relax_protocol(...) from builtins.PyCapsule
- relax_protocol(*args, **kwargs)
Overloaded function.
1. relax_protocol(rosetta.protocols.abinitio.AbrelaxMover) -> protocols::relax::RelaxProtocolBase
2. relax_protocol(rosetta.protocols.abinitio.AbrelaxMover) -> protocols::relax::RelaxProtocolBase
3. relax_protocol(self : rosetta.protocols.abinitio.AbrelaxMover, set : protocols::relax::RelaxProtocolBase) -> NoneType
- sampling_protocol(...) from builtins.PyCapsule
- sampling_protocol(*args, **kwargs)
Overloaded function.
1. sampling_protocol(rosetta.protocols.abinitio.AbrelaxMover) -> protocols::abinitio::FragmentSampler
2. sampling_protocol(self : rosetta.protocols.abinitio.AbrelaxMover, set : protocols::abinitio::FragmentSampler) -> NoneType
- set_defaults(...) from builtins.PyCapsule
- set_defaults(rosetta.protocols.abinitio.AbrelaxMover) -> NoneType
- topology_broker(...) from builtins.PyCapsule
- topology_broker(rosetta.protocols.abinitio.AbrelaxMover) -> protocols::topology_broker::TopologyBroker
Methods inherited from rosetta.protocols.moves.Mover:
- clear_info(...) from builtins.PyCapsule
- clear_info(rosetta.protocols.moves.Mover) -> NoneType
Strings container can be used to return miscellaneous info (as std::string) from a mover, such as notes about the results of apply(). The job distributor (Apr 09 vintage) will check this function to see if your protocol wants to add string info to the Job that ran this mover. One way this can be useful is that later, a JobOutputter may include/append this info to an output file.
clear_info is called by jd2 before calling apply
- clone(...) from builtins.PyCapsule
- clone(rosetta.protocols.moves.Mover) -> rosetta.protocols.moves.Mover
Return a clone of the Mover object.
- create(...) from builtins.PyCapsule
- create(rosetta.protocols.moves.Mover) -> rosetta.protocols.moves.Mover
- get_additional_output(...) from builtins.PyCapsule
- get_additional_output(rosetta.protocols.moves.Mover) -> rosetta.core.pose.Pose
fpd
Mechanism by which a mover may return multiple output poses from a single input pose.
- get_current_job(...) from builtins.PyCapsule
- get_current_job(rosetta.protocols.moves.Mover) -> protocols::jobdist::BasicJob
- get_current_tag(...) from builtins.PyCapsule
- get_current_tag(rosetta.protocols.moves.Mover) -> str
A tag is a unique identifier used to identify structures produced
by this Mover. get_current_tag() returns the tag, and set_current_tag( std::string tag )
sets the tag. This functionality is not intended for use with the 2008 job distributor.
- get_input_pose(...) from builtins.PyCapsule
- get_input_pose(rosetta.protocols.moves.Mover) -> rosetta.core.pose.Pose
- get_last_move_status(...) from builtins.PyCapsule
- get_last_move_status(rosetta.protocols.moves.Mover) -> rosetta.protocols.moves.MoverStatus
returns status after an apply(). The job distributor (august 08 vintage) will check this function to see if your protocol wants to filter its results - if your protocol wants to say "that run was no good, skip it" then use the protected last_move_status(MoverStatus) to change the value that this function will return.
- get_native_pose(...) from builtins.PyCapsule
- get_native_pose(rosetta.protocols.moves.Mover) -> rosetta.core.pose.Pose
- get_self_ptr(...) from builtins.PyCapsule
- get_self_ptr(*args, **kwargs)
Overloaded function.
1. get_self_ptr(rosetta.protocols.moves.Mover) -> rosetta.protocols.moves.Mover
2. get_self_ptr(rosetta.protocols.moves.Mover) -> rosetta.protocols.moves.Mover
- get_self_weak_ptr(...) from builtins.PyCapsule
- get_self_weak_ptr(*args, **kwargs)
Overloaded function.
1. get_self_weak_ptr(rosetta.protocols.moves.Mover) -> rosetta.std.weak_ptr_const_protocols_moves_Mover_t
2. get_self_weak_ptr(rosetta.protocols.moves.Mover) -> rosetta.std.weak_ptr_protocols_moves_Mover_t
- get_type(...) from builtins.PyCapsule
- get_type(rosetta.protocols.moves.Mover) -> str
- info(...) from builtins.PyCapsule
- info(*args, **kwargs)
Overloaded function.
1. info(rosetta.protocols.moves.Mover) -> rosetta.std.list_std_string_std_allocator_std_string_t
non-const accessor
2. info(rosetta.protocols.moves.Mover) -> rosetta.std.list_std_string_std_allocator_std_string_t
const accessor
- last_proposal_density_ratio(...) from builtins.PyCapsule
- last_proposal_density_ratio(rosetta.protocols.moves.Mover) -> float
- name(...) from builtins.PyCapsule
- name() -> str
- register_options(...) from builtins.PyCapsule
- register_options(*args, **kwargs)
Overloaded function.
1. register_options() -> NoneType
Overload this static method if you access options within the mover.
These options will end up in -help of your application if users of this mover call register_options.
Do this recursively!
If you use movers within your mover, call their register_options in your register_options() method.
2. register_options() -> NoneType
3. register_options() -> NoneType
4. register_options() -> NoneType
5. register_options() -> NoneType
6. register_options() -> NoneType
7. register_options() -> NoneType
8. register_options() -> NoneType
9. register_options() -> NoneType
Associates relevant options with the AntibodyModeler class
10. register_options() -> NoneType
Associates relevant options with the AntibodyModeler class
11. register_options() -> NoneType
Associates relevant options with the SnugDock class
12. register_options() -> NoneType
Associates relevant options with the SnugDockProtocol class
13. register_options() -> NoneType
Register the options used by this mover with the global options
system.
14. register_options() -> NoneType
15. register_options() -> NoneType
Associate relevant options with the TemperedDocking class.
16. register_options() -> NoneType
17. register_options() -> NoneType
18. register_options() -> NoneType
Associates relevant options with the TemperedDocking class.
19. register_options() -> NoneType
20. register_options() -> NoneType
Associates relevant options with the ConstraintSetMover class
21. register_options() -> NoneType
22. register_options() -> NoneType
Associates relevant options with the DockingInitialPerturbation class
23. register_options() -> NoneType
Associates relevant options with the DockingProtocol class
24. register_options() -> NoneType
Associates relevant options with the TemperedDocking class
25. register_options() -> NoneType
26. register_options() -> NoneType
27. register_options() -> NoneType
28. register_options() -> NoneType
register options
29. register_options() -> NoneType
30. register_options() -> NoneType
Registers applicable options
31. register_options() -> NoneType
Register options with the option system.
32. register_options() -> NoneType
33. register_options() -> NoneType
34. register_options() -> NoneType
Associates relevant options with the LoopRefineInnerCycle class
35. register_options() -> NoneType
Associates relevant options with the LoopRefineInnerCycleContainer class
36. register_options() -> NoneType
Associates relevant options with the LoopRefineInnerCycle class
37. register_options() -> NoneType
Associates relevant options with the LoopRefineInnerCycle class
38. register_options() -> NoneType
39. register_options() -> NoneType
Register options with the option system.
40. register_options() -> NoneType
- reinitialize_for_each_job(...) from builtins.PyCapsule
- reinitialize_for_each_job(rosetta.protocols.moves.Mover) -> bool
Inform the Job Distributor (August '08 vintage) whether this object needs to be freshly regenerated on
each use.
- reinitialize_for_new_input(...) from builtins.PyCapsule
- reinitialize_for_new_input(rosetta.protocols.moves.Mover) -> bool
Inform the Job Distributor (August '08 vintage) whether this object needs to be regenerated when the input
pose is about to change, (for example, if the Mover has special code on the first apply() that is only valid for
that one input pose).
- reset_status(...) from builtins.PyCapsule
- reset_status(rosetta.protocols.moves.Mover) -> NoneType
resets status to SUCCESS, meant to be used before an apply(). The job distributor (august 08 vintage) uses this to ensure non-accumulation of status across apply()s.
- set_current_job(...) from builtins.PyCapsule
- set_current_job(self : rosetta.protocols.moves.Mover, job : protocols::jobdist::BasicJob) -> NoneType
////////////////////////////end Job Distributor interface////////////////////////////////////////
- set_current_tag(...) from builtins.PyCapsule
- set_current_tag(self : rosetta.protocols.moves.Mover, new_tag : str) -> NoneType
- set_input_pose(...) from builtins.PyCapsule
- set_input_pose(self : rosetta.protocols.moves.Mover, pose : rosetta.core.pose.Pose) -> NoneType
setter for poses contained for rms
- set_native_pose(...) from builtins.PyCapsule
- set_native_pose(self : rosetta.protocols.moves.Mover, pose : rosetta.core.pose.Pose) -> NoneType
setter for native poses contained for rms ---- we should get rid of this method? it is widely used, but a bit unsafe
- set_type(...) from builtins.PyCapsule
- set_type(self : rosetta.protocols.moves.Mover, setting : str) -> NoneType
- test_move(...) from builtins.PyCapsule
- test_move(self : rosetta.protocols.moves.Mover, pose : rosetta.core.pose.Pose) -> NoneType
: Unit test support function. Apply one move to a given pose.
Allows extra test specific functions to be called before applying
- type(...) from builtins.PyCapsule
- type(*args, **kwargs)
Overloaded function.
1. type(rosetta.protocols.moves.Mover) -> str
2. type(self : rosetta.protocols.moves.Mover, type_in : str) -> NoneType
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class ClassicAbinitio(Protocol) |
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@ detail
general usage:
ClassicAbinitio abinitio;
abinitio.init( pose );
...
while(nstruct) {
abinitio.apply( pose );
}
call ClassicAbinitio::register_options() before core::init::init to add relevant options to the applications help
, with the following
stages, all of which uses a different ScoreFunction based on the cen_std.wts in minirosetta_database:
- Stage 1: large (usually 9mer) randomly selected fragment insertions, only VDW term turned on.
Uses score0.wts_patch and runs for either a maximum of 2000 cycles or until all moveable phi/psi values
have been changed.
- Stage 2: large randomly selected fragment insertions, more score terms turned on. Uses score1.wts_patch
and runs for 2000 cycles.
- Stage 3: uses large randomly selected fragment insertions, although the size of the fragment insertions
is tunable via the set_apply_large_frags( bool ) method. Alternates between score2.wts_patch and score5.wts_patch,
running tunable numbers of 2000-cycle iterations between the two scoring functions.
- Stage 4: uses small (usually 3mer) fragment insertions with the fragment selection based on the Gunn cost for
finding local fragment moves. Runs for 4000-cycles and uses score3.wts_patch.
The class implements the basic abinito approach as known from rosetta++. We tried to set this up, such that
behaviour of the protocol can be changed in many different ways ( see, e.g., FoldConstraints ). To be able to change the
behaviour of the protocol easily the class-apply function and methods called therein (e.g., prepare_XXX() / do_XXX_cycles() ) should
not directly change moves or trials. A reference to the currently used score-function should be obtained by
mc().score_function() ...
Behaviour can be changed in the following ways:
use non-classic FragmentMover --> eg. not uniformly sampled fragments, but using some weighting
--> large and small moves doesn't have to be 3mers and 9mers... use other movers...
---> or other fragets for the "convenience constructor"
use custom trial classes --> overload update_moves()
change sampling behaviour:
overload prepare_XXX() methods: these are called before the cycling for a certain stage begins
overload do_stageX_cycles() : the actual loops over trial-moves ...
change scoring functions:
overload set_default_scores()
weight-changes effective for all stages: set_score_weight() |
|
- Method resolution order:
- ClassicAbinitio
- Protocol
- rosetta.protocols.moves.Mover
- builtins.object
Methods defined here:
- __init__(...) from builtins.PyCapsule
- __init__(*args, **kwargs)
Overloaded function.
1. __init__(self : handle, brute_move_small : protocols::simple_moves::FragmentMover, brute_move_large : protocols::simple_moves::FragmentMover, smooth_move_small : protocols::simple_moves::FragmentMover, : int) -> NoneType
2. __init__(self : handle, fragset_small : rosetta.core.fragment.FragSet, fragset_large : rosetta.core.fragment.FragSet, movemap : rosetta.core.kinematics.MoveMap) -> NoneType
3. __init__(handle, rosetta.protocols.abinitio.ClassicAbinitio) -> NoneType
- __new__(*args, **kwargs) from builtins.type
- Create and return a new object. See help(type) for accurate signature.
- apply(...) from builtins.PyCapsule
- apply(self : rosetta.protocols.abinitio.ClassicAbinitio, pose : rosetta.core.pose.Pose) -> NoneType
- bQuickTest(...) from builtins.PyCapsule
- bQuickTest(rosetta.protocols.abinitio.ClassicAbinitio) -> bool
- brute_move_large(...) from builtins.PyCapsule
- brute_move_large(rosetta.protocols.abinitio.ClassicAbinitio) -> protocols::simple_moves::FragmentMover
- brute_move_small(...) from builtins.PyCapsule
- brute_move_small(rosetta.protocols.abinitio.ClassicAbinitio) -> protocols::simple_moves::FragmentMover
- clone(...) from builtins.PyCapsule
- clone(rosetta.protocols.abinitio.ClassicAbinitio) -> rosetta.protocols.moves.Mover
- get_name(...) from builtins.PyCapsule
- get_name(rosetta.protocols.abinitio.ClassicAbinitio) -> str
- init(...) from builtins.PyCapsule
- init(self : rosetta.protocols.abinitio.ClassicAbinitio, pose : rosetta.core.pose.Pose) -> NoneType
- just_smooth_cycles(...) from builtins.PyCapsule
- just_smooth_cycles(rosetta.protocols.abinitio.ClassicAbinitio) -> bool
- mc(...) from builtins.PyCapsule
- mc(*args, **kwargs)
Overloaded function.
1. mc(rosetta.protocols.abinitio.ClassicAbinitio) -> protocols::moves::MonteCarlo
2. mc(rosetta.protocols.abinitio.ClassicAbinitio) -> protocols::moves::MonteCarlo
- movemap(...) from builtins.PyCapsule
- movemap(rosetta.protocols.abinitio.ClassicAbinitio) -> rosetta.core.kinematics.MoveMap
- register_options(...) from builtins.PyCapsule
- register_options(*args, **kwargs)
Overloaded function.
1. register_options() -> NoneType
Overload this static method if you access options within the mover.
These options will end up in -help of your application if users of this mover call register_options.
Do this recursively!
If you use movers within your mover, call their register_options in your register_options() method.
2. register_options() -> NoneType
3. register_options() -> NoneType
4. register_options() -> NoneType
5. register_options() -> NoneType
6. register_options() -> NoneType
7. register_options() -> NoneType
8. register_options() -> NoneType
9. register_options() -> NoneType
Associates relevant options with the AntibodyModeler class
10. register_options() -> NoneType
Associates relevant options with the AntibodyModeler class
11. register_options() -> NoneType
Associates relevant options with the SnugDock class
12. register_options() -> NoneType
Associates relevant options with the SnugDockProtocol class
13. register_options() -> NoneType
Register the options used by this mover with the global options
system.
14. register_options() -> NoneType
15. register_options() -> NoneType
Associate relevant options with the TemperedDocking class.
16. register_options() -> NoneType
17. register_options() -> NoneType
18. register_options() -> NoneType
Associates relevant options with the TemperedDocking class.
19. register_options() -> NoneType
20. register_options() -> NoneType
Associates relevant options with the ConstraintSetMover class
21. register_options() -> NoneType
22. register_options() -> NoneType
Associates relevant options with the DockingInitialPerturbation class
23. register_options() -> NoneType
Associates relevant options with the DockingProtocol class
24. register_options() -> NoneType
Associates relevant options with the TemperedDocking class
25. register_options() -> NoneType
26. register_options() -> NoneType
27. register_options() -> NoneType
28. register_options() -> NoneType
register options
29. register_options() -> NoneType
30. register_options() -> NoneType
Registers applicable options
31. register_options() -> NoneType
Register options with the option system.
32. register_options() -> NoneType
33. register_options() -> NoneType
34. register_options() -> NoneType
Associates relevant options with the LoopRefineInnerCycle class
35. register_options() -> NoneType
Associates relevant options with the LoopRefineInnerCycleContainer class
36. register_options() -> NoneType
Associates relevant options with the LoopRefineInnerCycle class
37. register_options() -> NoneType
Associates relevant options with the LoopRefineInnerCycle class
38. register_options() -> NoneType
39. register_options() -> NoneType
Register options with the option system.
40. register_options() -> NoneType
- set_cycles(...) from builtins.PyCapsule
- set_cycles(*args, **kwargs)
Overloaded function.
1. set_cycles(rosetta.protocols.abinitio.ClassicAbinitio) -> NoneType
2. set_cycles(self : rosetta.protocols.abinitio.ClassicAbinitio, increase_cycles : float) -> NoneType
- set_mc(...) from builtins.PyCapsule
- set_mc(self : rosetta.protocols.abinitio.ClassicAbinitio, : protocols::moves::MonteCarlo) -> NoneType
- set_movemap(...) from builtins.PyCapsule
- set_movemap(self : rosetta.protocols.abinitio.ClassicAbinitio, mm : rosetta.core.kinematics.MoveMap) -> NoneType
- set_moves(...) from builtins.PyCapsule
- set_moves(self : rosetta.protocols.abinitio.ClassicAbinitio, brute_move_small : protocols::simple_moves::FragmentMover, brute_move_large : protocols::simple_moves::FragmentMover, smooth_move_small : protocols::simple_moves::FragmentMover) -> NoneType
- set_score_weight(...) from builtins.PyCapsule
- set_score_weight(*args, **kwargs)
Overloaded function.
1. set_score_weight(self : rosetta.protocols.abinitio.ClassicAbinitio, : rosetta.core.scoring.ScoreType, setting : float) -> NoneType
2. set_score_weight(self : rosetta.protocols.abinitio.ClassicAbinitio, : rosetta.core.scoring.ScoreType, setting : float, stage : rosetta.protocols.abinitio.StageID) -> NoneType
- set_skip_stage1(...) from builtins.PyCapsule
- set_skip_stage1(self : rosetta.protocols.abinitio.ClassicAbinitio, setting : bool) -> NoneType
- set_skip_stage2(...) from builtins.PyCapsule
- set_skip_stage2(self : rosetta.protocols.abinitio.ClassicAbinitio, setting : bool) -> NoneType
- set_stage4_cycles(...) from builtins.PyCapsule
- set_stage4_cycles(self : rosetta.protocols.abinitio.ClassicAbinitio, stage4_cycles_new : int) -> NoneType
- smooth_move_small(...) from builtins.PyCapsule
- smooth_move_small(rosetta.protocols.abinitio.ClassicAbinitio) -> protocols::simple_moves::FragmentMover
- stage1_cycles(...) from builtins.PyCapsule
- stage1_cycles(rosetta.protocols.abinitio.ClassicAbinitio) -> int
- stage2_cycles(...) from builtins.PyCapsule
- stage2_cycles(rosetta.protocols.abinitio.ClassicAbinitio) -> int
- stage3_cycles(...) from builtins.PyCapsule
- stage3_cycles(rosetta.protocols.abinitio.ClassicAbinitio) -> int
- stage4_cycles(...) from builtins.PyCapsule
- stage4_cycles(rosetta.protocols.abinitio.ClassicAbinitio) -> int
- stage5_cycles(...) from builtins.PyCapsule
- stage5_cycles(rosetta.protocols.abinitio.ClassicAbinitio) -> int
- total_trials(...) from builtins.PyCapsule
- total_trials(rosetta.protocols.abinitio.ClassicAbinitio) -> int
Data descriptors defined here:
- bSkipStage1_
- bSkipStage2_
- bSkipStage3_
- bSkipStage4_
- bSkipStage5_
- recover_low_stages_
Data and other attributes defined here:
- ALL_STAGES = StageID.ALL_STAGES
- STAGE_1 = StageID.STAGE_1
- STAGE_2 = StageID.STAGE_2
- STAGE_3a = StageID.STAGE_3a
- STAGE_3b = StageID.STAGE_3b
- STAGE_4 = StageID.STAGE_4
- STAGE_4rot = StageID.STAGE_4rot
- STAGE_5 = StageID.STAGE_5
- StageID = <class 'rosetta.protocols.abinitio.ClassicAbinitio.StageID'>
Methods inherited from Protocol:
- add_evaluation(...) from builtins.PyCapsule
- add_evaluation(self : rosetta.protocols.abinitio.Protocol, ev : rosetta.protocols.evaluation.PoseEvaluator) -> NoneType
- assign(...) from builtins.PyCapsule
- assign(self : rosetta.protocols.abinitio.Protocol, : rosetta.protocols.abinitio.Protocol) -> rosetta.protocols.abinitio.Protocol
- centroid_scorefxn(...) from builtins.PyCapsule
- centroid_scorefxn(rosetta.protocols.abinitio.Protocol) -> rosetta.core.scoring.ScoreFunction
- evaluate_pose(...) from builtins.PyCapsule
- evaluate_pose(self : rosetta.protocols.abinitio.Protocol, pose : rosetta.core.pose.Pose, tag : str, pss : rosetta.core.io.silent.SilentStruct) -> NoneType
- evaluator(...) from builtins.PyCapsule
- evaluator(rosetta.protocols.abinitio.Protocol) -> rosetta.protocols.evaluation.MetaPoseEvaluator
- fullatom_scorefxn(...) from builtins.PyCapsule
- fullatom_scorefxn(rosetta.protocols.abinitio.Protocol) -> rosetta.core.scoring.ScoreFunction
- get_checkpoints(...) from builtins.PyCapsule
- get_checkpoints(rosetta.protocols.abinitio.Protocol) -> rosetta.protocols.checkpoint.CheckPointer
- kinematics(...) from builtins.PyCapsule
- kinematics(rosetta.protocols.abinitio.Protocol) -> rosetta.protocols.abinitio.KinematicControl
- output_debug_structure(...) from builtins.PyCapsule
- output_debug_structure(self : rosetta.protocols.abinitio.Protocol, pose : rosetta.core.pose.Pose, prefix : str) -> NoneType
- return_centroid(...) from builtins.PyCapsule
- return_centroid(*args, **kwargs)
Overloaded function.
1. return_centroid(rosetta.protocols.abinitio.Protocol) -> bool
2. return_centroid(self : rosetta.protocols.abinitio.Protocol, setting : bool) -> NoneType
- set_centroid_scorefxn(...) from builtins.PyCapsule
- set_centroid_scorefxn(self : rosetta.protocols.abinitio.Protocol, sfxn : rosetta.core.scoring.ScoreFunction) -> NoneType
- set_evaluation(...) from builtins.PyCapsule
- set_evaluation(self : rosetta.protocols.abinitio.Protocol, ev : rosetta.protocols.evaluation.MetaPoseEvaluator) -> NoneType
- set_fullatom_scorefxn(...) from builtins.PyCapsule
- set_fullatom_scorefxn(self : rosetta.protocols.abinitio.Protocol, sfxn : rosetta.core.scoring.ScoreFunction) -> NoneType
- set_kinematics(...) from builtins.PyCapsule
- set_kinematics(self : rosetta.protocols.abinitio.Protocol, kc : rosetta.protocols.abinitio.KinematicControl) -> NoneType
- set_silentout_file_name(...) from builtins.PyCapsule
- set_silentout_file_name(self : rosetta.protocols.abinitio.Protocol, str : str) -> NoneType
- start_from_centroid(...) from builtins.PyCapsule
- start_from_centroid(rosetta.protocols.abinitio.Protocol) -> bool
Methods inherited from rosetta.protocols.moves.Mover:
- clear_info(...) from builtins.PyCapsule
- clear_info(rosetta.protocols.moves.Mover) -> NoneType
Strings container can be used to return miscellaneous info (as std::string) from a mover, such as notes about the results of apply(). The job distributor (Apr 09 vintage) will check this function to see if your protocol wants to add string info to the Job that ran this mover. One way this can be useful is that later, a JobOutputter may include/append this info to an output file.
clear_info is called by jd2 before calling apply
- create(...) from builtins.PyCapsule
- create(rosetta.protocols.moves.Mover) -> rosetta.protocols.moves.Mover
- fresh_instance(...) from builtins.PyCapsule
- fresh_instance(rosetta.protocols.moves.Mover) -> rosetta.protocols.moves.Mover
Generates a new Mover object freshly created with the default ctor.
- get_additional_output(...) from builtins.PyCapsule
- get_additional_output(rosetta.protocols.moves.Mover) -> rosetta.core.pose.Pose
fpd
Mechanism by which a mover may return multiple output poses from a single input pose.
- get_current_job(...) from builtins.PyCapsule
- get_current_job(rosetta.protocols.moves.Mover) -> protocols::jobdist::BasicJob
- get_current_tag(...) from builtins.PyCapsule
- get_current_tag(rosetta.protocols.moves.Mover) -> str
A tag is a unique identifier used to identify structures produced
by this Mover. get_current_tag() returns the tag, and set_current_tag( std::string tag )
sets the tag. This functionality is not intended for use with the 2008 job distributor.
- get_input_pose(...) from builtins.PyCapsule
- get_input_pose(rosetta.protocols.moves.Mover) -> rosetta.core.pose.Pose
- get_last_move_status(...) from builtins.PyCapsule
- get_last_move_status(rosetta.protocols.moves.Mover) -> rosetta.protocols.moves.MoverStatus
returns status after an apply(). The job distributor (august 08 vintage) will check this function to see if your protocol wants to filter its results - if your protocol wants to say "that run was no good, skip it" then use the protected last_move_status(MoverStatus) to change the value that this function will return.
- get_native_pose(...) from builtins.PyCapsule
- get_native_pose(rosetta.protocols.moves.Mover) -> rosetta.core.pose.Pose
- get_self_ptr(...) from builtins.PyCapsule
- get_self_ptr(*args, **kwargs)
Overloaded function.
1. get_self_ptr(rosetta.protocols.moves.Mover) -> rosetta.protocols.moves.Mover
2. get_self_ptr(rosetta.protocols.moves.Mover) -> rosetta.protocols.moves.Mover
- get_self_weak_ptr(...) from builtins.PyCapsule
- get_self_weak_ptr(*args, **kwargs)
Overloaded function.
1. get_self_weak_ptr(rosetta.protocols.moves.Mover) -> rosetta.std.weak_ptr_const_protocols_moves_Mover_t
2. get_self_weak_ptr(rosetta.protocols.moves.Mover) -> rosetta.std.weak_ptr_protocols_moves_Mover_t
- get_type(...) from builtins.PyCapsule
- get_type(rosetta.protocols.moves.Mover) -> str
- info(...) from builtins.PyCapsule
- info(*args, **kwargs)
Overloaded function.
1. info(rosetta.protocols.moves.Mover) -> rosetta.std.list_std_string_std_allocator_std_string_t
non-const accessor
2. info(rosetta.protocols.moves.Mover) -> rosetta.std.list_std_string_std_allocator_std_string_t
const accessor
- last_proposal_density_ratio(...) from builtins.PyCapsule
- last_proposal_density_ratio(rosetta.protocols.moves.Mover) -> float
- name(...) from builtins.PyCapsule
- name() -> str
- reinitialize_for_each_job(...) from builtins.PyCapsule
- reinitialize_for_each_job(rosetta.protocols.moves.Mover) -> bool
Inform the Job Distributor (August '08 vintage) whether this object needs to be freshly regenerated on
each use.
- reinitialize_for_new_input(...) from builtins.PyCapsule
- reinitialize_for_new_input(rosetta.protocols.moves.Mover) -> bool
Inform the Job Distributor (August '08 vintage) whether this object needs to be regenerated when the input
pose is about to change, (for example, if the Mover has special code on the first apply() that is only valid for
that one input pose).
- reset_status(...) from builtins.PyCapsule
- reset_status(rosetta.protocols.moves.Mover) -> NoneType
resets status to SUCCESS, meant to be used before an apply(). The job distributor (august 08 vintage) uses this to ensure non-accumulation of status across apply()s.
- set_current_job(...) from builtins.PyCapsule
- set_current_job(self : rosetta.protocols.moves.Mover, job : protocols::jobdist::BasicJob) -> NoneType
////////////////////////////end Job Distributor interface////////////////////////////////////////
- set_current_tag(...) from builtins.PyCapsule
- set_current_tag(self : rosetta.protocols.moves.Mover, new_tag : str) -> NoneType
- set_input_pose(...) from builtins.PyCapsule
- set_input_pose(self : rosetta.protocols.moves.Mover, pose : rosetta.core.pose.Pose) -> NoneType
setter for poses contained for rms
- set_native_pose(...) from builtins.PyCapsule
- set_native_pose(self : rosetta.protocols.moves.Mover, pose : rosetta.core.pose.Pose) -> NoneType
setter for native poses contained for rms ---- we should get rid of this method? it is widely used, but a bit unsafe
- set_type(...) from builtins.PyCapsule
- set_type(self : rosetta.protocols.moves.Mover, setting : str) -> NoneType
- test_move(...) from builtins.PyCapsule
- test_move(self : rosetta.protocols.moves.Mover, pose : rosetta.core.pose.Pose) -> NoneType
: Unit test support function. Apply one move to a given pose.
Allows extra test specific functions to be called before applying
- type(...) from builtins.PyCapsule
- type(*args, **kwargs)
Overloaded function.
1. type(rosetta.protocols.moves.Mover) -> str
2. type(self : rosetta.protocols.moves.Mover, type_in : str) -> NoneType
|
class ConstraintFragmentSampler(FragmentSampler) |
|
@ detail
general usage:
ConstraintFragmentSampler abinitio;
abinitio.init( pose );
...
while(nstruct) {
abinitio.apply( pose );
}
call ConstraintFragmentSampler::register_options() before core::init::init to add relevant options to the applications help
, with the following
stages, all of which uses a different ScoreFunction based on the cen_std.wts in minirosetta_database:
- Stage 1: large (usually 9mer) randomly selected fragment insertions, only VDW term turned on.
Uses score0.wts_patch and runs for either a maximum of 2000 cycles or until all moveable phi/psi values
have been changed.
- Stage 2: large randomly selected fragment insertions, more score terms turned on. Uses score1.wts_patch
and runs for 2000 cycles.
- Stage 3: uses large randomly selected fragment insertions, although the size of the fragment insertions
is tunable via the set_apply_large_frags( bool ) method. Alternates between score2.wts_patch and score5.wts_patch,
running tunable numbers of 2000-cycle iterations between the two scoring functions.
- Stage 4: uses small (usually 3mer) fragment insertions with the fragment selection based on the Gunn cost for
finding local fragment moves. Runs for 4000-cycles and uses score3.wts_patch.
The class implements the basic abinito approach as known from rosetta++. We tried to set this up, such that
behaviour of the protocol can be changed in many different ways ( see, e.g., FoldConstraints ). To be able to change the
behaviour of the protocol easily the class-apply function and methods called therein (e.g., prepare_XXX() / do_XXX_cycles() ) should
not directly change moves or trials. A reference to the currently used score-function should be obtained by
mc().score_function() ...
Behaviour can be changed in the following ways:
use non-classic FragmentMover --> eg. not uniformly sampled fragments, but using some weighting
--> large and small moves doesn't have to be 3mers and 9mers... use other movers...
---> or other fragets for the "convenience constructor"
use custom trial classes --> overload update_moves()
change sampling behaviour:
overload prepare_XXX() methods: these are called before the cycling for a certain stage begins
overload do_stageX_cycles() : the actual loops over trial-moves ...
change scoring functions:
overload set_default_scores()
weight-changes effective for all stages: set_score_weight() |
|
- Method resolution order:
- ConstraintFragmentSampler
- FragmentSampler
- rosetta.protocols.moves.Mover
- builtins.object
Methods defined here:
- __init__(...) from builtins.PyCapsule
- __init__(*args, **kwargs)
Overloaded function.
1. __init__(self : handle, broker : protocols::topology_broker::TopologyBroker) -> NoneType
2. __init__(handle, rosetta.protocols.abinitio.ConstraintFragmentSampler) -> NoneType
- __new__(*args, **kwargs) from builtins.type
- Create and return a new object. See help(type) for accurate signature.
- apply(...) from builtins.PyCapsule
- apply(self : rosetta.protocols.abinitio.ConstraintFragmentSampler, pose : rosetta.core.pose.Pose) -> NoneType
- assign(...) from builtins.PyCapsule
- assign(self : rosetta.protocols.abinitio.ConstraintFragmentSampler, : rosetta.protocols.abinitio.ConstraintFragmentSampler) -> rosetta.protocols.abinitio.ConstraintFragmentSampler
- clone(...) from builtins.PyCapsule
- clone(rosetta.protocols.abinitio.ConstraintFragmentSampler) -> rosetta.protocols.moves.Mover
- get_name(...) from builtins.PyCapsule
- get_name(rosetta.protocols.abinitio.ConstraintFragmentSampler) -> str
- register_options(...) from builtins.PyCapsule
- register_options(*args, **kwargs)
Overloaded function.
1. register_options() -> NoneType
Overload this static method if you access options within the mover.
These options will end up in -help of your application if users of this mover call register_options.
Do this recursively!
If you use movers within your mover, call their register_options in your register_options() method.
2. register_options() -> NoneType
3. register_options() -> NoneType
4. register_options() -> NoneType
5. register_options() -> NoneType
6. register_options() -> NoneType
7. register_options() -> NoneType
8. register_options() -> NoneType
9. register_options() -> NoneType
Associates relevant options with the AntibodyModeler class
10. register_options() -> NoneType
Associates relevant options with the AntibodyModeler class
11. register_options() -> NoneType
Associates relevant options with the SnugDock class
12. register_options() -> NoneType
Associates relevant options with the SnugDockProtocol class
13. register_options() -> NoneType
Register the options used by this mover with the global options
system.
14. register_options() -> NoneType
15. register_options() -> NoneType
Associate relevant options with the TemperedDocking class.
16. register_options() -> NoneType
17. register_options() -> NoneType
18. register_options() -> NoneType
Associates relevant options with the TemperedDocking class.
19. register_options() -> NoneType
20. register_options() -> NoneType
Associates relevant options with the ConstraintSetMover class
21. register_options() -> NoneType
22. register_options() -> NoneType
Associates relevant options with the DockingInitialPerturbation class
23. register_options() -> NoneType
Associates relevant options with the DockingProtocol class
24. register_options() -> NoneType
Associates relevant options with the TemperedDocking class
25. register_options() -> NoneType
26. register_options() -> NoneType
27. register_options() -> NoneType
28. register_options() -> NoneType
register options
29. register_options() -> NoneType
30. register_options() -> NoneType
Registers applicable options
31. register_options() -> NoneType
Register options with the option system.
32. register_options() -> NoneType
33. register_options() -> NoneType
34. register_options() -> NoneType
Associates relevant options with the LoopRefineInnerCycle class
35. register_options() -> NoneType
Associates relevant options with the LoopRefineInnerCycleContainer class
36. register_options() -> NoneType
Associates relevant options with the LoopRefineInnerCycle class
37. register_options() -> NoneType
Associates relevant options with the LoopRefineInnerCycle class
38. register_options() -> NoneType
39. register_options() -> NoneType
Register options with the option system.
40. register_options() -> NoneType
Methods inherited from FragmentSampler:
- bQuickTest(...) from builtins.PyCapsule
- bQuickTest(rosetta.protocols.abinitio.FragmentSampler) -> bool
- check_loops(...) from builtins.PyCapsule
- check_loops(self : rosetta.protocols.abinitio.FragmentSampler, pose : rosetta.core.pose.Pose) -> bool
- current_scorefxn(...) from builtins.PyCapsule
- current_scorefxn(rosetta.protocols.abinitio.FragmentSampler) -> rosetta.core.scoring.ScoreFunction
- get_checkpoints(...) from builtins.PyCapsule
- get_checkpoints(rosetta.protocols.abinitio.FragmentSampler) -> rosetta.protocols.checkpoint.CheckPointer
- just_smooth_cycles(...) from builtins.PyCapsule
- just_smooth_cycles(rosetta.protocols.abinitio.FragmentSampler) -> bool
- set_cycles(...) from builtins.PyCapsule
- set_cycles(*args, **kwargs)
Overloaded function.
1. set_cycles(rosetta.protocols.abinitio.FragmentSampler) -> NoneType
2. set_cycles(self : rosetta.protocols.abinitio.FragmentSampler, increase_cycles : float) -> NoneType
- set_score_weight(...) from builtins.PyCapsule
- set_score_weight(*args, **kwargs)
Overloaded function.
1. set_score_weight(self : rosetta.protocols.abinitio.FragmentSampler, : rosetta.core.scoring.ScoreType, setting : float) -> NoneType
2. set_score_weight(self : rosetta.protocols.abinitio.FragmentSampler, : rosetta.core.scoring.ScoreType, setting : float, stage : rosetta.protocols.abinitio.StageID) -> NoneType
- set_stage4_cycles(...) from builtins.PyCapsule
- set_stage4_cycles(self : rosetta.protocols.abinitio.FragmentSampler, stage4_cycles_new : int) -> NoneType
- stage1_cycles(...) from builtins.PyCapsule
- stage1_cycles(rosetta.protocols.abinitio.FragmentSampler) -> int
- stage2_cycles(...) from builtins.PyCapsule
- stage2_cycles(rosetta.protocols.abinitio.FragmentSampler) -> int
- stage3_cycles(...) from builtins.PyCapsule
- stage3_cycles(rosetta.protocols.abinitio.FragmentSampler) -> int
- stage4_cycles(...) from builtins.PyCapsule
- stage4_cycles(rosetta.protocols.abinitio.FragmentSampler) -> int
- topology_broker(...) from builtins.PyCapsule
- topology_broker(self : rosetta.protocols.abinitio.FragmentSampler, set : protocols::topology_broker::TopologyBroker) -> NoneType
Methods inherited from rosetta.protocols.moves.Mover:
- clear_info(...) from builtins.PyCapsule
- clear_info(rosetta.protocols.moves.Mover) -> NoneType
Strings container can be used to return miscellaneous info (as std::string) from a mover, such as notes about the results of apply(). The job distributor (Apr 09 vintage) will check this function to see if your protocol wants to add string info to the Job that ran this mover. One way this can be useful is that later, a JobOutputter may include/append this info to an output file.
clear_info is called by jd2 before calling apply
- create(...) from builtins.PyCapsule
- create(rosetta.protocols.moves.Mover) -> rosetta.protocols.moves.Mover
- fresh_instance(...) from builtins.PyCapsule
- fresh_instance(rosetta.protocols.moves.Mover) -> rosetta.protocols.moves.Mover
Generates a new Mover object freshly created with the default ctor.
- get_additional_output(...) from builtins.PyCapsule
- get_additional_output(rosetta.protocols.moves.Mover) -> rosetta.core.pose.Pose
fpd
Mechanism by which a mover may return multiple output poses from a single input pose.
- get_current_job(...) from builtins.PyCapsule
- get_current_job(rosetta.protocols.moves.Mover) -> protocols::jobdist::BasicJob
- get_current_tag(...) from builtins.PyCapsule
- get_current_tag(rosetta.protocols.moves.Mover) -> str
A tag is a unique identifier used to identify structures produced
by this Mover. get_current_tag() returns the tag, and set_current_tag( std::string tag )
sets the tag. This functionality is not intended for use with the 2008 job distributor.
- get_input_pose(...) from builtins.PyCapsule
- get_input_pose(rosetta.protocols.moves.Mover) -> rosetta.core.pose.Pose
- get_last_move_status(...) from builtins.PyCapsule
- get_last_move_status(rosetta.protocols.moves.Mover) -> rosetta.protocols.moves.MoverStatus
returns status after an apply(). The job distributor (august 08 vintage) will check this function to see if your protocol wants to filter its results - if your protocol wants to say "that run was no good, skip it" then use the protected last_move_status(MoverStatus) to change the value that this function will return.
- get_native_pose(...) from builtins.PyCapsule
- get_native_pose(rosetta.protocols.moves.Mover) -> rosetta.core.pose.Pose
- get_self_ptr(...) from builtins.PyCapsule
- get_self_ptr(*args, **kwargs)
Overloaded function.
1. get_self_ptr(rosetta.protocols.moves.Mover) -> rosetta.protocols.moves.Mover
2. get_self_ptr(rosetta.protocols.moves.Mover) -> rosetta.protocols.moves.Mover
- get_self_weak_ptr(...) from builtins.PyCapsule
- get_self_weak_ptr(*args, **kwargs)
Overloaded function.
1. get_self_weak_ptr(rosetta.protocols.moves.Mover) -> rosetta.std.weak_ptr_const_protocols_moves_Mover_t
2. get_self_weak_ptr(rosetta.protocols.moves.Mover) -> rosetta.std.weak_ptr_protocols_moves_Mover_t
- get_type(...) from builtins.PyCapsule
- get_type(rosetta.protocols.moves.Mover) -> str
- info(...) from builtins.PyCapsule
- info(*args, **kwargs)
Overloaded function.
1. info(rosetta.protocols.moves.Mover) -> rosetta.std.list_std_string_std_allocator_std_string_t
non-const accessor
2. info(rosetta.protocols.moves.Mover) -> rosetta.std.list_std_string_std_allocator_std_string_t
const accessor
- last_proposal_density_ratio(...) from builtins.PyCapsule
- last_proposal_density_ratio(rosetta.protocols.moves.Mover) -> float
- name(...) from builtins.PyCapsule
- name() -> str
- reinitialize_for_each_job(...) from builtins.PyCapsule
- reinitialize_for_each_job(rosetta.protocols.moves.Mover) -> bool
Inform the Job Distributor (August '08 vintage) whether this object needs to be freshly regenerated on
each use.
- reinitialize_for_new_input(...) from builtins.PyCapsule
- reinitialize_for_new_input(rosetta.protocols.moves.Mover) -> bool
Inform the Job Distributor (August '08 vintage) whether this object needs to be regenerated when the input
pose is about to change, (for example, if the Mover has special code on the first apply() that is only valid for
that one input pose).
- reset_status(...) from builtins.PyCapsule
- reset_status(rosetta.protocols.moves.Mover) -> NoneType
resets status to SUCCESS, meant to be used before an apply(). The job distributor (august 08 vintage) uses this to ensure non-accumulation of status across apply()s.
- set_current_job(...) from builtins.PyCapsule
- set_current_job(self : rosetta.protocols.moves.Mover, job : protocols::jobdist::BasicJob) -> NoneType
////////////////////////////end Job Distributor interface////////////////////////////////////////
- set_current_tag(...) from builtins.PyCapsule
- set_current_tag(self : rosetta.protocols.moves.Mover, new_tag : str) -> NoneType
- set_input_pose(...) from builtins.PyCapsule
- set_input_pose(self : rosetta.protocols.moves.Mover, pose : rosetta.core.pose.Pose) -> NoneType
setter for poses contained for rms
- set_native_pose(...) from builtins.PyCapsule
- set_native_pose(self : rosetta.protocols.moves.Mover, pose : rosetta.core.pose.Pose) -> NoneType
setter for native poses contained for rms ---- we should get rid of this method? it is widely used, but a bit unsafe
- set_type(...) from builtins.PyCapsule
- set_type(self : rosetta.protocols.moves.Mover, setting : str) -> NoneType
- test_move(...) from builtins.PyCapsule
- test_move(self : rosetta.protocols.moves.Mover, pose : rosetta.core.pose.Pose) -> NoneType
: Unit test support function. Apply one move to a given pose.
Allows extra test specific functions to be called before applying
- type(...) from builtins.PyCapsule
- type(*args, **kwargs)
Overloaded function.
1. type(rosetta.protocols.moves.Mover) -> str
2. type(self : rosetta.protocols.moves.Mover, type_in : str) -> NoneType
|
class CoordinateConstraintKC(KinematicControl) |
| |
- Method resolution order:
- CoordinateConstraintKC
- KinematicControl
- builtins.object
Methods defined here:
- __init__(...) from builtins.PyCapsule
- __init__(*args, **kwargs)
Overloaded function.
1. __init__(self : handle, ramp : bool, final_weight : float) -> NoneType
2. __init__(handle, rosetta.protocols.abinitio.CoordinateConstraintKC) -> NoneType
- __new__(*args, **kwargs) from builtins.type
- Create and return a new object. See help(type) for accurate signature.
- add_score_weights(...) from builtins.PyCapsule
- add_score_weights(self : rosetta.protocols.abinitio.CoordinateConstraintKC, : rosetta.core.scoring.ScoreFunction, progress : float) -> NoneType
- assign(...) from builtins.PyCapsule
- assign(self : rosetta.protocols.abinitio.CoordinateConstraintKC, : rosetta.protocols.abinitio.CoordinateConstraintKC) -> rosetta.protocols.abinitio.CoordinateConstraintKC
Methods inherited from KinematicControl:
- add_chainbreak_variants(...) from builtins.PyCapsule
- add_chainbreak_variants(*args, **kwargs)
Overloaded function.
1. add_chainbreak_variants(self : rosetta.protocols.abinitio.KinematicControl, pose : rosetta.core.pose.Pose) -> NoneType
2. add_chainbreak_variants(self : rosetta.protocols.abinitio.KinematicControl, pose : rosetta.core.pose.Pose, max_dist : int, : rosetta.core.kinematics.ShortestPathInFoldTree) -> NoneType
- final_fold_tree(...) from builtins.PyCapsule
- final_fold_tree(rosetta.protocols.abinitio.KinematicControl) -> rosetta.core.kinematics.FoldTree
- jump_mover(...) from builtins.PyCapsule
- jump_mover(rosetta.protocols.abinitio.KinematicControl) -> protocols::simple_moves::FragmentMover
- movemap(...) from builtins.PyCapsule
- movemap(rosetta.protocols.abinitio.KinematicControl) -> rosetta.core.kinematics.MoveMap
- movemap_ptr(...) from builtins.PyCapsule
- movemap_ptr(rosetta.protocols.abinitio.KinematicControl) -> rosetta.core.kinematics.MoveMap
- prepare_pose_for_sampling(...) from builtins.PyCapsule
- prepare_pose_for_sampling(self : rosetta.protocols.abinitio.KinematicControl, pose : rosetta.core.pose.Pose) -> bool
- sampling_fold_tree(...) from builtins.PyCapsule
- sampling_fold_tree(rosetta.protocols.abinitio.KinematicControl) -> rosetta.core.kinematics.FoldTree
- set_final_fold_tree(...) from builtins.PyCapsule
- set_final_fold_tree(self : rosetta.protocols.abinitio.KinematicControl, f : rosetta.core.kinematics.FoldTree) -> NoneType
- set_jump_mover(...) from builtins.PyCapsule
- set_jump_mover(self : rosetta.protocols.abinitio.KinematicControl, jm : protocols::simple_moves::FragmentMover) -> NoneType
- set_movemap(...) from builtins.PyCapsule
- set_movemap(self : rosetta.protocols.abinitio.KinematicControl, mm : rosetta.core.kinematics.MoveMap) -> NoneType
- set_sampling_fold_tree(...) from builtins.PyCapsule
- set_sampling_fold_tree(self : rosetta.protocols.abinitio.KinematicControl, f : rosetta.core.kinematics.FoldTree) -> NoneType
- set_strict_movemap(...) from builtins.PyCapsule
- set_strict_movemap(self : rosetta.protocols.abinitio.KinematicControl, mm : rosetta.core.kinematics.MoveMap) -> NoneType
|
class DomainAssembly(rosetta.protocols.moves.Mover) |
|
insert fragments in a linker region. Very similar to what's in looprelax_main |
|
- Method resolution order:
- DomainAssembly
- rosetta.protocols.moves.Mover
- builtins.object
Methods defined here:
- __init__(...) from builtins.PyCapsule
- __init__(*args, **kwargs)
Overloaded function.
1. __init__(handle) -> NoneType
2. __init__(self : handle, linker_start : int, linker_end : int, fragset_large : rosetta.core.fragment.FragSet, fragset_small : rosetta.core.fragment.FragSet) -> NoneType
3. __init__(handle, rosetta.protocols.abinitio.DomainAssembly) -> NoneType
- __new__(*args, **kwargs) from builtins.type
- Create and return a new object. See help(type) for accurate signature.
- apply(...) from builtins.PyCapsule
- apply(self : rosetta.protocols.abinitio.DomainAssembly, pose : rosetta.core.pose.Pose) -> NoneType
- assign(...) from builtins.PyCapsule
- assign(self : rosetta.protocols.abinitio.DomainAssembly, : rosetta.protocols.abinitio.DomainAssembly) -> rosetta.protocols.abinitio.DomainAssembly
- clone(...) from builtins.PyCapsule
- clone(rosetta.protocols.abinitio.DomainAssembly) -> rosetta.protocols.moves.Mover
- fresh_instance(...) from builtins.PyCapsule
- fresh_instance(rosetta.protocols.abinitio.DomainAssembly) -> rosetta.protocols.moves.Mover
- get_name(...) from builtins.PyCapsule
- get_name(rosetta.protocols.abinitio.DomainAssembly) -> str
Methods inherited from rosetta.protocols.moves.Mover:
- clear_info(...) from builtins.PyCapsule
- clear_info(rosetta.protocols.moves.Mover) -> NoneType
Strings container can be used to return miscellaneous info (as std::string) from a mover, such as notes about the results of apply(). The job distributor (Apr 09 vintage) will check this function to see if your protocol wants to add string info to the Job that ran this mover. One way this can be useful is that later, a JobOutputter may include/append this info to an output file.
clear_info is called by jd2 before calling apply
- create(...) from builtins.PyCapsule
- create(rosetta.protocols.moves.Mover) -> rosetta.protocols.moves.Mover
- get_additional_output(...) from builtins.PyCapsule
- get_additional_output(rosetta.protocols.moves.Mover) -> rosetta.core.pose.Pose
fpd
Mechanism by which a mover may return multiple output poses from a single input pose.
- get_current_job(...) from builtins.PyCapsule
- get_current_job(rosetta.protocols.moves.Mover) -> protocols::jobdist::BasicJob
- get_current_tag(...) from builtins.PyCapsule
- get_current_tag(rosetta.protocols.moves.Mover) -> str
A tag is a unique identifier used to identify structures produced
by this Mover. get_current_tag() returns the tag, and set_current_tag( std::string tag )
sets the tag. This functionality is not intended for use with the 2008 job distributor.
- get_input_pose(...) from builtins.PyCapsule
- get_input_pose(rosetta.protocols.moves.Mover) -> rosetta.core.pose.Pose
- get_last_move_status(...) from builtins.PyCapsule
- get_last_move_status(rosetta.protocols.moves.Mover) -> rosetta.protocols.moves.MoverStatus
returns status after an apply(). The job distributor (august 08 vintage) will check this function to see if your protocol wants to filter its results - if your protocol wants to say "that run was no good, skip it" then use the protected last_move_status(MoverStatus) to change the value that this function will return.
- get_native_pose(...) from builtins.PyCapsule
- get_native_pose(rosetta.protocols.moves.Mover) -> rosetta.core.pose.Pose
- get_self_ptr(...) from builtins.PyCapsule
- get_self_ptr(*args, **kwargs)
Overloaded function.
1. get_self_ptr(rosetta.protocols.moves.Mover) -> rosetta.protocols.moves.Mover
2. get_self_ptr(rosetta.protocols.moves.Mover) -> rosetta.protocols.moves.Mover
- get_self_weak_ptr(...) from builtins.PyCapsule
- get_self_weak_ptr(*args, **kwargs)
Overloaded function.
1. get_self_weak_ptr(rosetta.protocols.moves.Mover) -> rosetta.std.weak_ptr_const_protocols_moves_Mover_t
2. get_self_weak_ptr(rosetta.protocols.moves.Mover) -> rosetta.std.weak_ptr_protocols_moves_Mover_t
- get_type(...) from builtins.PyCapsule
- get_type(rosetta.protocols.moves.Mover) -> str
- info(...) from builtins.PyCapsule
- info(*args, **kwargs)
Overloaded function.
1. info(rosetta.protocols.moves.Mover) -> rosetta.std.list_std_string_std_allocator_std_string_t
non-const accessor
2. info(rosetta.protocols.moves.Mover) -> rosetta.std.list_std_string_std_allocator_std_string_t
const accessor
- last_proposal_density_ratio(...) from builtins.PyCapsule
- last_proposal_density_ratio(rosetta.protocols.moves.Mover) -> float
- name(...) from builtins.PyCapsule
- name() -> str
- register_options(...) from builtins.PyCapsule
- register_options(*args, **kwargs)
Overloaded function.
1. register_options() -> NoneType
Overload this static method if you access options within the mover.
These options will end up in -help of your application if users of this mover call register_options.
Do this recursively!
If you use movers within your mover, call their register_options in your register_options() method.
2. register_options() -> NoneType
3. register_options() -> NoneType
4. register_options() -> NoneType
5. register_options() -> NoneType
6. register_options() -> NoneType
7. register_options() -> NoneType
8. register_options() -> NoneType
9. register_options() -> NoneType
Associates relevant options with the AntibodyModeler class
10. register_options() -> NoneType
Associates relevant options with the AntibodyModeler class
11. register_options() -> NoneType
Associates relevant options with the SnugDock class
12. register_options() -> NoneType
Associates relevant options with the SnugDockProtocol class
13. register_options() -> NoneType
Register the options used by this mover with the global options
system.
14. register_options() -> NoneType
15. register_options() -> NoneType
Associate relevant options with the TemperedDocking class.
16. register_options() -> NoneType
17. register_options() -> NoneType
18. register_options() -> NoneType
Associates relevant options with the TemperedDocking class.
19. register_options() -> NoneType
20. register_options() -> NoneType
Associates relevant options with the ConstraintSetMover class
21. register_options() -> NoneType
22. register_options() -> NoneType
Associates relevant options with the DockingInitialPerturbation class
23. register_options() -> NoneType
Associates relevant options with the DockingProtocol class
24. register_options() -> NoneType
Associates relevant options with the TemperedDocking class
25. register_options() -> NoneType
26. register_options() -> NoneType
27. register_options() -> NoneType
28. register_options() -> NoneType
register options
29. register_options() -> NoneType
30. register_options() -> NoneType
Registers applicable options
31. register_options() -> NoneType
Register options with the option system.
32. register_options() -> NoneType
33. register_options() -> NoneType
34. register_options() -> NoneType
Associates relevant options with the LoopRefineInnerCycle class
35. register_options() -> NoneType
Associates relevant options with the LoopRefineInnerCycleContainer class
36. register_options() -> NoneType
Associates relevant options with the LoopRefineInnerCycle class
37. register_options() -> NoneType
Associates relevant options with the LoopRefineInnerCycle class
38. register_options() -> NoneType
39. register_options() -> NoneType
Register options with the option system.
40. register_options() -> NoneType
- reinitialize_for_each_job(...) from builtins.PyCapsule
- reinitialize_for_each_job(rosetta.protocols.moves.Mover) -> bool
Inform the Job Distributor (August '08 vintage) whether this object needs to be freshly regenerated on
each use.
- reinitialize_for_new_input(...) from builtins.PyCapsule
- reinitialize_for_new_input(rosetta.protocols.moves.Mover) -> bool
Inform the Job Distributor (August '08 vintage) whether this object needs to be regenerated when the input
pose is about to change, (for example, if the Mover has special code on the first apply() that is only valid for
that one input pose).
- reset_status(...) from builtins.PyCapsule
- reset_status(rosetta.protocols.moves.Mover) -> NoneType
resets status to SUCCESS, meant to be used before an apply(). The job distributor (august 08 vintage) uses this to ensure non-accumulation of status across apply()s.
- set_current_job(...) from builtins.PyCapsule
- set_current_job(self : rosetta.protocols.moves.Mover, job : protocols::jobdist::BasicJob) -> NoneType
////////////////////////////end Job Distributor interface////////////////////////////////////////
- set_current_tag(...) from builtins.PyCapsule
- set_current_tag(self : rosetta.protocols.moves.Mover, new_tag : str) -> NoneType
- set_input_pose(...) from builtins.PyCapsule
- set_input_pose(self : rosetta.protocols.moves.Mover, pose : rosetta.core.pose.Pose) -> NoneType
setter for poses contained for rms
- set_native_pose(...) from builtins.PyCapsule
- set_native_pose(self : rosetta.protocols.moves.Mover, pose : rosetta.core.pose.Pose) -> NoneType
setter for native poses contained for rms ---- we should get rid of this method? it is widely used, but a bit unsafe
- set_type(...) from builtins.PyCapsule
- set_type(self : rosetta.protocols.moves.Mover, setting : str) -> NoneType
- test_move(...) from builtins.PyCapsule
- test_move(self : rosetta.protocols.moves.Mover, pose : rosetta.core.pose.Pose) -> NoneType
: Unit test support function. Apply one move to a given pose.
Allows extra test specific functions to be called before applying
- type(...) from builtins.PyCapsule
- type(*args, **kwargs)
Overloaded function.
1. type(rosetta.protocols.moves.Mover) -> str
2. type(self : rosetta.protocols.moves.Mover, type_in : str) -> NoneType
|
class DoubleLayerKinematicAbinitio(LoopJumpFoldCst) |
| |
- Method resolution order:
- DoubleLayerKinematicAbinitio
- LoopJumpFoldCst
- KinematicTaskControl
- Protocol
- rosetta.protocols.moves.Mover
- builtins.object
Methods defined here:
- __init__(...) from builtins.PyCapsule
- __init__(*args, **kwargs)
Overloaded function.
1. __init__(handle, rosetta.protocols.jumping.BaseJumpSetup, rosetta.protocols.loops.Loops, rosetta.protocols.loops.Loops, rosetta.protocols.abinitio.Protocol, rosetta.protocols.abinitio.Protocol, rosetta.core.fragment.SecondaryStructure, float) -> NoneType
doc
2. __init__(self : handle, jump_def : rosetta.protocols.jumping.BaseJumpSetup, extended_loops : rosetta.protocols.loops.Loops, rigid_core : rosetta.protocols.loops.Loops, sampler : rosetta.protocols.abinitio.Protocol, extended_chain_sampler : rosetta.protocols.abinitio.Protocol, ss_def : rosetta.core.fragment.SecondaryStructure, coord_cst_weight : float, bCstAllAtom : bool) -> NoneType
3. __init__(handle, rosetta.protocols.abinitio.DoubleLayerKinematicAbinitio) -> NoneType
- __new__(*args, **kwargs) from builtins.type
- Create and return a new object. See help(type) for accurate signature.
- assign(...) from builtins.PyCapsule
- assign(self : rosetta.protocols.abinitio.DoubleLayerKinematicAbinitio, : rosetta.protocols.abinitio.DoubleLayerKinematicAbinitio) -> rosetta.protocols.abinitio.DoubleLayerKinematicAbinitio
- get_name(...) from builtins.PyCapsule
- get_name(rosetta.protocols.abinitio.DoubleLayerKinematicAbinitio) -> str
- new_kinematics(...) from builtins.PyCapsule
- new_kinematics(self : rosetta.protocols.abinitio.DoubleLayerKinematicAbinitio, pose : rosetta.core.pose.Pose) -> rosetta.protocols.abinitio.KinematicControl
Methods inherited from LoopJumpFoldCst:
- set_coord_cst_weight_array(...) from builtins.PyCapsule
- set_coord_cst_weight_array(self : rosetta.protocols.abinitio.LoopJumpFoldCst, vec : rosetta.utility.vector1_double) -> NoneType
- set_dump_weights_file(...) from builtins.PyCapsule
- set_dump_weights_file(self : rosetta.protocols.abinitio.LoopJumpFoldCst, str : str) -> NoneType
Methods inherited from KinematicTaskControl:
- apply(...) from builtins.PyCapsule
- apply(self : rosetta.protocols.abinitio.KinematicTaskControl, pose : rosetta.core.pose.Pose) -> NoneType
- current_kinematics(...) from builtins.PyCapsule
- current_kinematics(rosetta.protocols.abinitio.KinematicTaskControl) -> rosetta.protocols.abinitio.KinematicControl
- get_checkpoints(...) from builtins.PyCapsule
- get_checkpoints(rosetta.protocols.abinitio.KinematicTaskControl) -> rosetta.protocols.checkpoint.CheckPointer
- init(...) from builtins.PyCapsule
- init(self : rosetta.protocols.abinitio.KinematicTaskControl, pose : rosetta.core.pose.Pose) -> NoneType
- sampling_protocol(...) from builtins.PyCapsule
- sampling_protocol(rosetta.protocols.abinitio.KinematicTaskControl) -> rosetta.protocols.abinitio.Protocol
- set_input_pose_is_fa(...) from builtins.PyCapsule
- set_input_pose_is_fa(*args, **kwargs)
Overloaded function.
1. set_input_pose_is_fa(rosetta.protocols.abinitio.KinematicTaskControl) -> NoneType
2. set_input_pose_is_fa(self : rosetta.protocols.abinitio.KinematicTaskControl, setting : bool) -> NoneType
Methods inherited from Protocol:
- add_evaluation(...) from builtins.PyCapsule
- add_evaluation(self : rosetta.protocols.abinitio.Protocol, ev : rosetta.protocols.evaluation.PoseEvaluator) -> NoneType
- centroid_scorefxn(...) from builtins.PyCapsule
- centroid_scorefxn(rosetta.protocols.abinitio.Protocol) -> rosetta.core.scoring.ScoreFunction
- evaluate_pose(...) from builtins.PyCapsule
- evaluate_pose(self : rosetta.protocols.abinitio.Protocol, pose : rosetta.core.pose.Pose, tag : str, pss : rosetta.core.io.silent.SilentStruct) -> NoneType
- evaluator(...) from builtins.PyCapsule
- evaluator(rosetta.protocols.abinitio.Protocol) -> rosetta.protocols.evaluation.MetaPoseEvaluator
- fullatom_scorefxn(...) from builtins.PyCapsule
- fullatom_scorefxn(rosetta.protocols.abinitio.Protocol) -> rosetta.core.scoring.ScoreFunction
- kinematics(...) from builtins.PyCapsule
- kinematics(rosetta.protocols.abinitio.Protocol) -> rosetta.protocols.abinitio.KinematicControl
- output_debug_structure(...) from builtins.PyCapsule
- output_debug_structure(self : rosetta.protocols.abinitio.Protocol, pose : rosetta.core.pose.Pose, prefix : str) -> NoneType
- register_options(...) from builtins.PyCapsule
- register_options(*args, **kwargs)
Overloaded function.
1. register_options() -> NoneType
Overload this static method if you access options within the mover.
These options will end up in -help of your application if users of this mover call register_options.
Do this recursively!
If you use movers within your mover, call their register_options in your register_options() method.
2. register_options() -> NoneType
3. register_options() -> NoneType
4. register_options() -> NoneType
5. register_options() -> NoneType
6. register_options() -> NoneType
7. register_options() -> NoneType
8. register_options() -> NoneType
9. register_options() -> NoneType
Associates relevant options with the AntibodyModeler class
10. register_options() -> NoneType
Associates relevant options with the AntibodyModeler class
11. register_options() -> NoneType
Associates relevant options with the SnugDock class
12. register_options() -> NoneType
Associates relevant options with the SnugDockProtocol class
13. register_options() -> NoneType
Register the options used by this mover with the global options
system.
14. register_options() -> NoneType
15. register_options() -> NoneType
Associate relevant options with the TemperedDocking class.
16. register_options() -> NoneType
17. register_options() -> NoneType
18. register_options() -> NoneType
Associates relevant options with the TemperedDocking class.
19. register_options() -> NoneType
20. register_options() -> NoneType
Associates relevant options with the ConstraintSetMover class
21. register_options() -> NoneType
22. register_options() -> NoneType
Associates relevant options with the DockingInitialPerturbation class
23. register_options() -> NoneType
Associates relevant options with the DockingProtocol class
24. register_options() -> NoneType
Associates relevant options with the TemperedDocking class
25. register_options() -> NoneType
26. register_options() -> NoneType
27. register_options() -> NoneType
28. register_options() -> NoneType
register options
29. register_options() -> NoneType
30. register_options() -> NoneType
Registers applicable options
31. register_options() -> NoneType
Register options with the option system.
32. register_options() -> NoneType
33. register_options() -> NoneType
34. register_options() -> NoneType
Associates relevant options with the LoopRefineInnerCycle class
35. register_options() -> NoneType
Associates relevant options with the LoopRefineInnerCycleContainer class
36. register_options() -> NoneType
Associates relevant options with the LoopRefineInnerCycle class
37. register_options() -> NoneType
Associates relevant options with the LoopRefineInnerCycle class
38. register_options() -> NoneType
39. register_options() -> NoneType
Register options with the option system.
40. register_options() -> NoneType
- return_centroid(...) from builtins.PyCapsule
- return_centroid(*args, **kwargs)
Overloaded function.
1. return_centroid(rosetta.protocols.abinitio.Protocol) -> bool
2. return_centroid(self : rosetta.protocols.abinitio.Protocol, setting : bool) -> NoneType
- set_centroid_scorefxn(...) from builtins.PyCapsule
- set_centroid_scorefxn(self : rosetta.protocols.abinitio.Protocol, sfxn : rosetta.core.scoring.ScoreFunction) -> NoneType
- set_evaluation(...) from builtins.PyCapsule
- set_evaluation(self : rosetta.protocols.abinitio.Protocol, ev : rosetta.protocols.evaluation.MetaPoseEvaluator) -> NoneType
- set_fullatom_scorefxn(...) from builtins.PyCapsule
- set_fullatom_scorefxn(self : rosetta.protocols.abinitio.Protocol, sfxn : rosetta.core.scoring.ScoreFunction) -> NoneType
- set_kinematics(...) from builtins.PyCapsule
- set_kinematics(self : rosetta.protocols.abinitio.Protocol, kc : rosetta.protocols.abinitio.KinematicControl) -> NoneType
- set_silentout_file_name(...) from builtins.PyCapsule
- set_silentout_file_name(self : rosetta.protocols.abinitio.Protocol, str : str) -> NoneType
- start_from_centroid(...) from builtins.PyCapsule
- start_from_centroid(rosetta.protocols.abinitio.Protocol) -> bool
Methods inherited from rosetta.protocols.moves.Mover:
- clear_info(...) from builtins.PyCapsule
- clear_info(rosetta.protocols.moves.Mover) -> NoneType
Strings container can be used to return miscellaneous info (as std::string) from a mover, such as notes about the results of apply(). The job distributor (Apr 09 vintage) will check this function to see if your protocol wants to add string info to the Job that ran this mover. One way this can be useful is that later, a JobOutputter may include/append this info to an output file.
clear_info is called by jd2 before calling apply
- clone(...) from builtins.PyCapsule
- clone(rosetta.protocols.moves.Mover) -> rosetta.protocols.moves.Mover
Return a clone of the Mover object.
- create(...) from builtins.PyCapsule
- create(rosetta.protocols.moves.Mover) -> rosetta.protocols.moves.Mover
- fresh_instance(...) from builtins.PyCapsule
- fresh_instance(rosetta.protocols.moves.Mover) -> rosetta.protocols.moves.Mover
Generates a new Mover object freshly created with the default ctor.
- get_additional_output(...) from builtins.PyCapsule
- get_additional_output(rosetta.protocols.moves.Mover) -> rosetta.core.pose.Pose
fpd
Mechanism by which a mover may return multiple output poses from a single input pose.
- get_current_job(...) from builtins.PyCapsule
- get_current_job(rosetta.protocols.moves.Mover) -> protocols::jobdist::BasicJob
- get_current_tag(...) from builtins.PyCapsule
- get_current_tag(rosetta.protocols.moves.Mover) -> str
A tag is a unique identifier used to identify structures produced
by this Mover. get_current_tag() returns the tag, and set_current_tag( std::string tag )
sets the tag. This functionality is not intended for use with the 2008 job distributor.
- get_input_pose(...) from builtins.PyCapsule
- get_input_pose(rosetta.protocols.moves.Mover) -> rosetta.core.pose.Pose
- get_last_move_status(...) from builtins.PyCapsule
- get_last_move_status(rosetta.protocols.moves.Mover) -> rosetta.protocols.moves.MoverStatus
returns status after an apply(). The job distributor (august 08 vintage) will check this function to see if your protocol wants to filter its results - if your protocol wants to say "that run was no good, skip it" then use the protected last_move_status(MoverStatus) to change the value that this function will return.
- get_native_pose(...) from builtins.PyCapsule
- get_native_pose(rosetta.protocols.moves.Mover) -> rosetta.core.pose.Pose
- get_self_ptr(...) from builtins.PyCapsule
- get_self_ptr(*args, **kwargs)
Overloaded function.
1. get_self_ptr(rosetta.protocols.moves.Mover) -> rosetta.protocols.moves.Mover
2. get_self_ptr(rosetta.protocols.moves.Mover) -> rosetta.protocols.moves.Mover
- get_self_weak_ptr(...) from builtins.PyCapsule
- get_self_weak_ptr(*args, **kwargs)
Overloaded function.
1. get_self_weak_ptr(rosetta.protocols.moves.Mover) -> rosetta.std.weak_ptr_const_protocols_moves_Mover_t
2. get_self_weak_ptr(rosetta.protocols.moves.Mover) -> rosetta.std.weak_ptr_protocols_moves_Mover_t
- get_type(...) from builtins.PyCapsule
- get_type(rosetta.protocols.moves.Mover) -> str
- info(...) from builtins.PyCapsule
- info(*args, **kwargs)
Overloaded function.
1. info(rosetta.protocols.moves.Mover) -> rosetta.std.list_std_string_std_allocator_std_string_t
non-const accessor
2. info(rosetta.protocols.moves.Mover) -> rosetta.std.list_std_string_std_allocator_std_string_t
const accessor
- last_proposal_density_ratio(...) from builtins.PyCapsule
- last_proposal_density_ratio(rosetta.protocols.moves.Mover) -> float
- name(...) from builtins.PyCapsule
- name() -> str
- reinitialize_for_each_job(...) from builtins.PyCapsule
- reinitialize_for_each_job(rosetta.protocols.moves.Mover) -> bool
Inform the Job Distributor (August '08 vintage) whether this object needs to be freshly regenerated on
each use.
- reinitialize_for_new_input(...) from builtins.PyCapsule
- reinitialize_for_new_input(rosetta.protocols.moves.Mover) -> bool
Inform the Job Distributor (August '08 vintage) whether this object needs to be regenerated when the input
pose is about to change, (for example, if the Mover has special code on the first apply() that is only valid for
that one input pose).
- reset_status(...) from builtins.PyCapsule
- reset_status(rosetta.protocols.moves.Mover) -> NoneType
resets status to SUCCESS, meant to be used before an apply(). The job distributor (august 08 vintage) uses this to ensure non-accumulation of status across apply()s.
- set_current_job(...) from builtins.PyCapsule
- set_current_job(self : rosetta.protocols.moves.Mover, job : protocols::jobdist::BasicJob) -> NoneType
////////////////////////////end Job Distributor interface////////////////////////////////////////
- set_current_tag(...) from builtins.PyCapsule
- set_current_tag(self : rosetta.protocols.moves.Mover, new_tag : str) -> NoneType
- set_input_pose(...) from builtins.PyCapsule
- set_input_pose(self : rosetta.protocols.moves.Mover, pose : rosetta.core.pose.Pose) -> NoneType
setter for poses contained for rms
- set_native_pose(...) from builtins.PyCapsule
- set_native_pose(self : rosetta.protocols.moves.Mover, pose : rosetta.core.pose.Pose) -> NoneType
setter for native poses contained for rms ---- we should get rid of this method? it is widely used, but a bit unsafe
- set_type(...) from builtins.PyCapsule
- set_type(self : rosetta.protocols.moves.Mover, setting : str) -> NoneType
- test_move(...) from builtins.PyCapsule
- test_move(self : rosetta.protocols.moves.Mover, pose : rosetta.core.pose.Pose) -> NoneType
: Unit test support function. Apply one move to a given pose.
Allows extra test specific functions to be called before applying
- type(...) from builtins.PyCapsule
- type(*args, **kwargs)
Overloaded function.
1. type(rosetta.protocols.moves.Mover) -> str
2. type(self : rosetta.protocols.moves.Mover, type_in : str) -> NoneType
|
class FixTemplateJumpSetup(TemplateJumpSetup) |
| |
- Method resolution order:
- FixTemplateJumpSetup
- TemplateJumpSetup
- rosetta.protocols.jumping.BaseJumpSetup
- builtins.object
Methods defined here:
- __init__(...) from builtins.PyCapsule
- __init__(*args, **kwargs)
Overloaded function.
1. __init__(self : handle, templates : protocols::abinitio::Templates, secstruct : rosetta.core.fragment.SecondaryStructure, : rosetta.protocols.abinitio.PairingStatistics, : rosetta.utility.vector1_core_scoring_dssp_Pairing, jump_def : rosetta.protocols.jumping.BaseJumpSetup) -> NoneType
2. __init__(self : handle, templ : rosetta.protocols.abinitio.TemplateJumpSetup, jump_def : rosetta.protocols.jumping.BaseJumpSetup) -> NoneType
- __new__(*args, **kwargs) from builtins.type
- Create and return a new object. See help(type) for accurate signature.
- assign(...) from builtins.PyCapsule
- assign(self : rosetta.protocols.abinitio.FixTemplateJumpSetup, : rosetta.protocols.abinitio.FixTemplateJumpSetup) -> rosetta.protocols.abinitio.FixTemplateJumpSetup
- create_jump_sample(...) from builtins.PyCapsule
- create_jump_sample(rosetta.protocols.abinitio.FixTemplateJumpSetup) -> rosetta.protocols.jumping.JumpSample
Methods inherited from TemplateJumpSetup:
- clean_jumps(...) from builtins.PyCapsule
- clean_jumps(self : rosetta.protocols.abinitio.TemplateJumpSetup, : rosetta.protocols.jumping.JumpSample) -> rosetta.protocols.jumping.JumpSample
- generate_jump_frags(...) from builtins.PyCapsule
- generate_jump_frags(self : rosetta.protocols.abinitio.TemplateJumpSetup, : rosetta.protocols.jumping.JumpSample, : rosetta.core.kinematics.MoveMap) -> rosetta.core.fragment.FragSet
returns an ordered FragSet that is compatible with the JumpSample
default: generate jumps from ss-library according to JumpSample
- is_helix_jump(...) from builtins.PyCapsule
- is_helix_jump(self : rosetta.protocols.abinitio.TemplateJumpSetup, p : rosetta.core.scoring.dssp.Pairing) -> bool
- type_name(...) from builtins.PyCapsule
- type_name(rosetta.protocols.abinitio.TemplateJumpSetup) -> str
|
class FoldConstraints(ClassicAbinitio) |
|
extension of ClassicAbinitio Protocol to adapt the folding process for the presence of distance constraints
Main Function: switch distance constraints based on distance in the FoldTree ( i.e., in sequence for simple FoldTrees )
This is achieved by replacing the pose's ConstraintSet with the special purpose class MaxSeqSepConstraintSet
the latter class will only score constraints that are sufficiently close in FoldTree/Sequence
( as controlled by the threshold with set_max_seq_sep() )
the protocol ranks up the max_seq_sep parameter while folding proceeds through the stages.
to this extend it overloads methods prepare_stageX() do_stage1_cycles()
the other substantial difference to ClassicAbinitio is that minimizations are carried out.
method min_trial() is called each time the max_seq_sep is changed. ( inhibit: -no_minimize ) |
|
- Method resolution order:
- FoldConstraints
- ClassicAbinitio
- Protocol
- rosetta.protocols.moves.Mover
- builtins.object
Methods defined here:
- __init__(...) from builtins.PyCapsule
- __init__(*args, **kwargs)
Overloaded function.
1. __init__(self : handle, brute_move_small : protocols::simple_moves::FragmentMover, brute_move_large : protocols::simple_moves::FragmentMover, smooth_move_small : protocols::simple_moves::FragmentMover, dummy : int) -> NoneType
2. __init__(self : handle, fragset3mer : rosetta.core.fragment.FragSet, fragset9mer : rosetta.core.fragment.FragSet, movemap : rosetta.core.kinematics.MoveMap) -> NoneType
3. __init__(handle, rosetta.protocols.abinitio.FoldConstraints) -> NoneType
- __new__(*args, **kwargs) from builtins.type
- Create and return a new object. See help(type) for accurate signature.
- apply(...) from builtins.PyCapsule
- apply(self : rosetta.protocols.abinitio.FoldConstraints, pose : rosetta.core.pose.Pose) -> NoneType
run the protocol
- clone(...) from builtins.PyCapsule
- clone(rosetta.protocols.abinitio.FoldConstraints) -> rosetta.protocols.moves.Mover
...
- get_name(...) from builtins.PyCapsule
- get_name(rosetta.protocols.abinitio.FoldConstraints) -> str
- register_options(...) from builtins.PyCapsule
- register_options(*args, **kwargs)
Overloaded function.
1. register_options() -> NoneType
Overload this static method if you access options within the mover.
These options will end up in -help of your application if users of this mover call register_options.
Do this recursively!
If you use movers within your mover, call their register_options in your register_options() method.
2. register_options() -> NoneType
3. register_options() -> NoneType
4. register_options() -> NoneType
5. register_options() -> NoneType
6. register_options() -> NoneType
7. register_options() -> NoneType
8. register_options() -> NoneType
9. register_options() -> NoneType
Associates relevant options with the AntibodyModeler class
10. register_options() -> NoneType
Associates relevant options with the AntibodyModeler class
11. register_options() -> NoneType
Associates relevant options with the SnugDock class
12. register_options() -> NoneType
Associates relevant options with the SnugDockProtocol class
13. register_options() -> NoneType
Register the options used by this mover with the global options
system.
14. register_options() -> NoneType
15. register_options() -> NoneType
Associate relevant options with the TemperedDocking class.
16. register_options() -> NoneType
17. register_options() -> NoneType
18. register_options() -> NoneType
Associates relevant options with the TemperedDocking class.
19. register_options() -> NoneType
20. register_options() -> NoneType
Associates relevant options with the ConstraintSetMover class
21. register_options() -> NoneType
22. register_options() -> NoneType
Associates relevant options with the DockingInitialPerturbation class
23. register_options() -> NoneType
Associates relevant options with the DockingProtocol class
24. register_options() -> NoneType
Associates relevant options with the TemperedDocking class
25. register_options() -> NoneType
26. register_options() -> NoneType
27. register_options() -> NoneType
28. register_options() -> NoneType
register options
29. register_options() -> NoneType
30. register_options() -> NoneType
Registers applicable options
31. register_options() -> NoneType
Register options with the option system.
32. register_options() -> NoneType
33. register_options() -> NoneType
34. register_options() -> NoneType
Associates relevant options with the LoopRefineInnerCycle class
35. register_options() -> NoneType
Associates relevant options with the LoopRefineInnerCycleContainer class
36. register_options() -> NoneType
Associates relevant options with the LoopRefineInnerCycle class
37. register_options() -> NoneType
Associates relevant options with the LoopRefineInnerCycle class
38. register_options() -> NoneType
39. register_options() -> NoneType
Register options with the option system.
40. register_options() -> NoneType
- set_constraint_weight(...) from builtins.PyCapsule
- set_constraint_weight(self : rosetta.protocols.abinitio.FoldConstraints, setting : float) -> NoneType
- set_default_options(...) from builtins.PyCapsule
- set_default_options(rosetta.protocols.abinitio.FoldConstraints) -> NoneType
- set_default_scores(...) from builtins.PyCapsule
- set_default_scores(rosetta.protocols.abinitio.FoldConstraints) -> NoneType
sets the usual scores ( score0,score1, score2/5 etc. ) and additionally atom_pair_constraints to 1.0
- set_show_viol_level(...) from builtins.PyCapsule
- set_show_viol_level(self : rosetta.protocols.abinitio.FoldConstraints, setting : int) -> NoneType
Methods inherited from ClassicAbinitio:
- bQuickTest(...) from builtins.PyCapsule
- bQuickTest(rosetta.protocols.abinitio.ClassicAbinitio) -> bool
- brute_move_large(...) from builtins.PyCapsule
- brute_move_large(rosetta.protocols.abinitio.ClassicAbinitio) -> protocols::simple_moves::FragmentMover
- brute_move_small(...) from builtins.PyCapsule
- brute_move_small(rosetta.protocols.abinitio.ClassicAbinitio) -> protocols::simple_moves::FragmentMover
- init(...) from builtins.PyCapsule
- init(self : rosetta.protocols.abinitio.ClassicAbinitio, pose : rosetta.core.pose.Pose) -> NoneType
- just_smooth_cycles(...) from builtins.PyCapsule
- just_smooth_cycles(rosetta.protocols.abinitio.ClassicAbinitio) -> bool
- mc(...) from builtins.PyCapsule
- mc(*args, **kwargs)
Overloaded function.
1. mc(rosetta.protocols.abinitio.ClassicAbinitio) -> protocols::moves::MonteCarlo
2. mc(rosetta.protocols.abinitio.ClassicAbinitio) -> protocols::moves::MonteCarlo
- movemap(...) from builtins.PyCapsule
- movemap(rosetta.protocols.abinitio.ClassicAbinitio) -> rosetta.core.kinematics.MoveMap
- set_cycles(...) from builtins.PyCapsule
- set_cycles(*args, **kwargs)
Overloaded function.
1. set_cycles(rosetta.protocols.abinitio.ClassicAbinitio) -> NoneType
2. set_cycles(self : rosetta.protocols.abinitio.ClassicAbinitio, increase_cycles : float) -> NoneType
- set_mc(...) from builtins.PyCapsule
- set_mc(self : rosetta.protocols.abinitio.ClassicAbinitio, : protocols::moves::MonteCarlo) -> NoneType
- set_movemap(...) from builtins.PyCapsule
- set_movemap(self : rosetta.protocols.abinitio.ClassicAbinitio, mm : rosetta.core.kinematics.MoveMap) -> NoneType
- set_moves(...) from builtins.PyCapsule
- set_moves(self : rosetta.protocols.abinitio.ClassicAbinitio, brute_move_small : protocols::simple_moves::FragmentMover, brute_move_large : protocols::simple_moves::FragmentMover, smooth_move_small : protocols::simple_moves::FragmentMover) -> NoneType
- set_score_weight(...) from builtins.PyCapsule
- set_score_weight(*args, **kwargs)
Overloaded function.
1. set_score_weight(self : rosetta.protocols.abinitio.ClassicAbinitio, : rosetta.core.scoring.ScoreType, setting : float) -> NoneType
2. set_score_weight(self : rosetta.protocols.abinitio.ClassicAbinitio, : rosetta.core.scoring.ScoreType, setting : float, stage : rosetta.protocols.abinitio.StageID) -> NoneType
- set_skip_stage1(...) from builtins.PyCapsule
- set_skip_stage1(self : rosetta.protocols.abinitio.ClassicAbinitio, setting : bool) -> NoneType
- set_skip_stage2(...) from builtins.PyCapsule
- set_skip_stage2(self : rosetta.protocols.abinitio.ClassicAbinitio, setting : bool) -> NoneType
- set_stage4_cycles(...) from builtins.PyCapsule
- set_stage4_cycles(self : rosetta.protocols.abinitio.ClassicAbinitio, stage4_cycles_new : int) -> NoneType
- smooth_move_small(...) from builtins.PyCapsule
- smooth_move_small(rosetta.protocols.abinitio.ClassicAbinitio) -> protocols::simple_moves::FragmentMover
- stage1_cycles(...) from builtins.PyCapsule
- stage1_cycles(rosetta.protocols.abinitio.ClassicAbinitio) -> int
- stage2_cycles(...) from builtins.PyCapsule
- stage2_cycles(rosetta.protocols.abinitio.ClassicAbinitio) -> int
- stage3_cycles(...) from builtins.PyCapsule
- stage3_cycles(rosetta.protocols.abinitio.ClassicAbinitio) -> int
- stage4_cycles(...) from builtins.PyCapsule
- stage4_cycles(rosetta.protocols.abinitio.ClassicAbinitio) -> int
- stage5_cycles(...) from builtins.PyCapsule
- stage5_cycles(rosetta.protocols.abinitio.ClassicAbinitio) -> int
- total_trials(...) from builtins.PyCapsule
- total_trials(rosetta.protocols.abinitio.ClassicAbinitio) -> int
Data descriptors inherited from ClassicAbinitio:
- bSkipStage1_
- bSkipStage2_
- bSkipStage3_
- bSkipStage4_
- bSkipStage5_
- recover_low_stages_
Data and other attributes inherited from ClassicAbinitio:
- ALL_STAGES = StageID.ALL_STAGES
- STAGE_1 = StageID.STAGE_1
- STAGE_2 = StageID.STAGE_2
- STAGE_3a = StageID.STAGE_3a
- STAGE_3b = StageID.STAGE_3b
- STAGE_4 = StageID.STAGE_4
- STAGE_4rot = StageID.STAGE_4rot
- STAGE_5 = StageID.STAGE_5
- StageID = <class 'rosetta.protocols.abinitio.ClassicAbinitio.StageID'>
Methods inherited from Protocol:
- add_evaluation(...) from builtins.PyCapsule
- add_evaluation(self : rosetta.protocols.abinitio.Protocol, ev : rosetta.protocols.evaluation.PoseEvaluator) -> NoneType
- assign(...) from builtins.PyCapsule
- assign(self : rosetta.protocols.abinitio.Protocol, : rosetta.protocols.abinitio.Protocol) -> rosetta.protocols.abinitio.Protocol
- centroid_scorefxn(...) from builtins.PyCapsule
- centroid_scorefxn(rosetta.protocols.abinitio.Protocol) -> rosetta.core.scoring.ScoreFunction
- evaluate_pose(...) from builtins.PyCapsule
- evaluate_pose(self : rosetta.protocols.abinitio.Protocol, pose : rosetta.core.pose.Pose, tag : str, pss : rosetta.core.io.silent.SilentStruct) -> NoneType
- evaluator(...) from builtins.PyCapsule
- evaluator(rosetta.protocols.abinitio.Protocol) -> rosetta.protocols.evaluation.MetaPoseEvaluator
- fullatom_scorefxn(...) from builtins.PyCapsule
- fullatom_scorefxn(rosetta.protocols.abinitio.Protocol) -> rosetta.core.scoring.ScoreFunction
- get_checkpoints(...) from builtins.PyCapsule
- get_checkpoints(rosetta.protocols.abinitio.Protocol) -> rosetta.protocols.checkpoint.CheckPointer
- kinematics(...) from builtins.PyCapsule
- kinematics(rosetta.protocols.abinitio.Protocol) -> rosetta.protocols.abinitio.KinematicControl
- output_debug_structure(...) from builtins.PyCapsule
- output_debug_structure(self : rosetta.protocols.abinitio.Protocol, pose : rosetta.core.pose.Pose, prefix : str) -> NoneType
- return_centroid(...) from builtins.PyCapsule
- return_centroid(*args, **kwargs)
Overloaded function.
1. return_centroid(rosetta.protocols.abinitio.Protocol) -> bool
2. return_centroid(self : rosetta.protocols.abinitio.Protocol, setting : bool) -> NoneType
- set_centroid_scorefxn(...) from builtins.PyCapsule
- set_centroid_scorefxn(self : rosetta.protocols.abinitio.Protocol, sfxn : rosetta.core.scoring.ScoreFunction) -> NoneType
- set_evaluation(...) from builtins.PyCapsule
- set_evaluation(self : rosetta.protocols.abinitio.Protocol, ev : rosetta.protocols.evaluation.MetaPoseEvaluator) -> NoneType
- set_fullatom_scorefxn(...) from builtins.PyCapsule
- set_fullatom_scorefxn(self : rosetta.protocols.abinitio.Protocol, sfxn : rosetta.core.scoring.ScoreFunction) -> NoneType
- set_kinematics(...) from builtins.PyCapsule
- set_kinematics(self : rosetta.protocols.abinitio.Protocol, kc : rosetta.protocols.abinitio.KinematicControl) -> NoneType
- set_silentout_file_name(...) from builtins.PyCapsule
- set_silentout_file_name(self : rosetta.protocols.abinitio.Protocol, str : str) -> NoneType
- start_from_centroid(...) from builtins.PyCapsule
- start_from_centroid(rosetta.protocols.abinitio.Protocol) -> bool
Methods inherited from rosetta.protocols.moves.Mover:
- clear_info(...) from builtins.PyCapsule
- clear_info(rosetta.protocols.moves.Mover) -> NoneType
Strings container can be used to return miscellaneous info (as std::string) from a mover, such as notes about the results of apply(). The job distributor (Apr 09 vintage) will check this function to see if your protocol wants to add string info to the Job that ran this mover. One way this can be useful is that later, a JobOutputter may include/append this info to an output file.
clear_info is called by jd2 before calling apply
- create(...) from builtins.PyCapsule
- create(rosetta.protocols.moves.Mover) -> rosetta.protocols.moves.Mover
- fresh_instance(...) from builtins.PyCapsule
- fresh_instance(rosetta.protocols.moves.Mover) -> rosetta.protocols.moves.Mover
Generates a new Mover object freshly created with the default ctor.
- get_additional_output(...) from builtins.PyCapsule
- get_additional_output(rosetta.protocols.moves.Mover) -> rosetta.core.pose.Pose
fpd
Mechanism by which a mover may return multiple output poses from a single input pose.
- get_current_job(...) from builtins.PyCapsule
- get_current_job(rosetta.protocols.moves.Mover) -> protocols::jobdist::BasicJob
- get_current_tag(...) from builtins.PyCapsule
- get_current_tag(rosetta.protocols.moves.Mover) -> str
A tag is a unique identifier used to identify structures produced
by this Mover. get_current_tag() returns the tag, and set_current_tag( std::string tag )
sets the tag. This functionality is not intended for use with the 2008 job distributor.
- get_input_pose(...) from builtins.PyCapsule
- get_input_pose(rosetta.protocols.moves.Mover) -> rosetta.core.pose.Pose
- get_last_move_status(...) from builtins.PyCapsule
- get_last_move_status(rosetta.protocols.moves.Mover) -> rosetta.protocols.moves.MoverStatus
returns status after an apply(). The job distributor (august 08 vintage) will check this function to see if your protocol wants to filter its results - if your protocol wants to say "that run was no good, skip it" then use the protected last_move_status(MoverStatus) to change the value that this function will return.
- get_native_pose(...) from builtins.PyCapsule
- get_native_pose(rosetta.protocols.moves.Mover) -> rosetta.core.pose.Pose
- get_self_ptr(...) from builtins.PyCapsule
- get_self_ptr(*args, **kwargs)
Overloaded function.
1. get_self_ptr(rosetta.protocols.moves.Mover) -> rosetta.protocols.moves.Mover
2. get_self_ptr(rosetta.protocols.moves.Mover) -> rosetta.protocols.moves.Mover
- get_self_weak_ptr(...) from builtins.PyCapsule
- get_self_weak_ptr(*args, **kwargs)
Overloaded function.
1. get_self_weak_ptr(rosetta.protocols.moves.Mover) -> rosetta.std.weak_ptr_const_protocols_moves_Mover_t
2. get_self_weak_ptr(rosetta.protocols.moves.Mover) -> rosetta.std.weak_ptr_protocols_moves_Mover_t
- get_type(...) from builtins.PyCapsule
- get_type(rosetta.protocols.moves.Mover) -> str
- info(...) from builtins.PyCapsule
- info(*args, **kwargs)
Overloaded function.
1. info(rosetta.protocols.moves.Mover) -> rosetta.std.list_std_string_std_allocator_std_string_t
non-const accessor
2. info(rosetta.protocols.moves.Mover) -> rosetta.std.list_std_string_std_allocator_std_string_t
const accessor
- last_proposal_density_ratio(...) from builtins.PyCapsule
- last_proposal_density_ratio(rosetta.protocols.moves.Mover) -> float
- name(...) from builtins.PyCapsule
- name() -> str
- reinitialize_for_each_job(...) from builtins.PyCapsule
- reinitialize_for_each_job(rosetta.protocols.moves.Mover) -> bool
Inform the Job Distributor (August '08 vintage) whether this object needs to be freshly regenerated on
each use.
- reinitialize_for_new_input(...) from builtins.PyCapsule
- reinitialize_for_new_input(rosetta.protocols.moves.Mover) -> bool
Inform the Job Distributor (August '08 vintage) whether this object needs to be regenerated when the input
pose is about to change, (for example, if the Mover has special code on the first apply() that is only valid for
that one input pose).
- reset_status(...) from builtins.PyCapsule
- reset_status(rosetta.protocols.moves.Mover) -> NoneType
resets status to SUCCESS, meant to be used before an apply(). The job distributor (august 08 vintage) uses this to ensure non-accumulation of status across apply()s.
- set_current_job(...) from builtins.PyCapsule
- set_current_job(self : rosetta.protocols.moves.Mover, job : protocols::jobdist::BasicJob) -> NoneType
////////////////////////////end Job Distributor interface////////////////////////////////////////
- set_current_tag(...) from builtins.PyCapsule
- set_current_tag(self : rosetta.protocols.moves.Mover, new_tag : str) -> NoneType
- set_input_pose(...) from builtins.PyCapsule
- set_input_pose(self : rosetta.protocols.moves.Mover, pose : rosetta.core.pose.Pose) -> NoneType
setter for poses contained for rms
- set_native_pose(...) from builtins.PyCapsule
- set_native_pose(self : rosetta.protocols.moves.Mover, pose : rosetta.core.pose.Pose) -> NoneType
setter for native poses contained for rms ---- we should get rid of this method? it is widely used, but a bit unsafe
- set_type(...) from builtins.PyCapsule
- set_type(self : rosetta.protocols.moves.Mover, setting : str) -> NoneType
- test_move(...) from builtins.PyCapsule
- test_move(self : rosetta.protocols.moves.Mover, pose : rosetta.core.pose.Pose) -> NoneType
: Unit test support function. Apply one move to a given pose.
Allows extra test specific functions to be called before applying
- type(...) from builtins.PyCapsule
- type(*args, **kwargs)
Overloaded function.
1. type(rosetta.protocols.moves.Mover) -> str
2. type(self : rosetta.protocols.moves.Mover, type_in : str) -> NoneType
|
class FragmentSampler(rosetta.protocols.moves.Mover) |
|
@ detail
general usage:
FragmentSampler abinitio;
abinitio.init( pose );
...
while(nstruct) {
abinitio.apply( pose );
}
call FragmentSampler::register_options() before core::init::init to add relevant options to the applications help
, with the following
stages, all of which uses a different ScoreFunction based on the cen_std.wts in minirosetta_database:
- Stage 1: large (usually 9mer) randomly selected fragment insertions, only VDW term turned on.
Uses score0.wts_patch and runs for either a maximum of 2000 cycles or until all moveable phi/psi values
have been changed.
- Stage 2: large randomly selected fragment insertions, more score terms turned on. Uses score1.wts_patch
and runs for 2000 cycles.
- Stage 3: uses large randomly selected fragment insertions, although the size of the fragment insertions
is tunable via the set_apply_large_frags( bool ) method. Alternates between score2.wts_patch and score5.wts_patch,
running tunable numbers of 2000-cycle iterations between the two scoring functions.
- Stage 4: uses small (usually 3mer) fragment insertions with the fragment selection based on the Gunn cost for
finding local fragment moves. Runs for 4000-cycles and uses score3.wts_patch.
The class implements the basic abinito approach as known from rosetta++. We tried to set this up, such that
behaviour of the protocol can be changed in many different ways ( see, e.g., FoldConstraints ). To be able to change the
behaviour of the protocol easily the class-apply function and methods called therein (e.g., prepare_XXX() / do_XXX_cycles() ) should
not directly change moves or trials. A reference to the currently used score-function should be obtained by
mc().score_function() ...
Behaviour can be changed in the following ways:
use non-classic FragmentMover --> eg. not uniformly sampled fragments, but using some weighting
--> large and small moves doesn't have to be 3mers and 9mers... use other movers...
---> or other fragets for the "convenience constructor"
use custom trial classes --> overload update_moves()
change sampling behaviour:
overload prepare_XXX() methods: these are called before the cycling for a certain stage begins
overload do_stageX_cycles() : the actual loops over trial-moves ...
change scoring functions:
overload set_default_scores()
weight-changes effective for all stages: set_score_weight() |
|
- Method resolution order:
- FragmentSampler
- rosetta.protocols.moves.Mover
- builtins.object
Methods defined here:
- __init__(...) from builtins.PyCapsule
- __init__(*args, **kwargs)
Overloaded function.
1. __init__(self : handle, broker : protocols::topology_broker::TopologyBroker) -> NoneType
2. __init__(handle, rosetta.protocols.abinitio.FragmentSampler) -> NoneType
- __new__(*args, **kwargs) from builtins.type
- Create and return a new object. See help(type) for accurate signature.
- apply(...) from builtins.PyCapsule
- apply(self : rosetta.protocols.abinitio.FragmentSampler, pose : rosetta.core.pose.Pose) -> NoneType
- assign(...) from builtins.PyCapsule
- assign(self : rosetta.protocols.abinitio.FragmentSampler, : rosetta.protocols.abinitio.FragmentSampler) -> rosetta.protocols.abinitio.FragmentSampler
- bQuickTest(...) from builtins.PyCapsule
- bQuickTest(rosetta.protocols.abinitio.FragmentSampler) -> bool
- check_loops(...) from builtins.PyCapsule
- check_loops(self : rosetta.protocols.abinitio.FragmentSampler, pose : rosetta.core.pose.Pose) -> bool
- clone(...) from builtins.PyCapsule
- clone(rosetta.protocols.abinitio.FragmentSampler) -> rosetta.protocols.moves.Mover
- current_scorefxn(...) from builtins.PyCapsule
- current_scorefxn(rosetta.protocols.abinitio.FragmentSampler) -> rosetta.core.scoring.ScoreFunction
- get_checkpoints(...) from builtins.PyCapsule
- get_checkpoints(rosetta.protocols.abinitio.FragmentSampler) -> rosetta.protocols.checkpoint.CheckPointer
- get_name(...) from builtins.PyCapsule
- get_name(rosetta.protocols.abinitio.FragmentSampler) -> str
- just_smooth_cycles(...) from builtins.PyCapsule
- just_smooth_cycles(rosetta.protocols.abinitio.FragmentSampler) -> bool
- register_options(...) from builtins.PyCapsule
- register_options(*args, **kwargs)
Overloaded function.
1. register_options() -> NoneType
Overload this static method if you access options within the mover.
These options will end up in -help of your application if users of this mover call register_options.
Do this recursively!
If you use movers within your mover, call their register_options in your register_options() method.
2. register_options() -> NoneType
3. register_options() -> NoneType
4. register_options() -> NoneType
5. register_options() -> NoneType
6. register_options() -> NoneType
7. register_options() -> NoneType
8. register_options() -> NoneType
9. register_options() -> NoneType
Associates relevant options with the AntibodyModeler class
10. register_options() -> NoneType
Associates relevant options with the AntibodyModeler class
11. register_options() -> NoneType
Associates relevant options with the SnugDock class
12. register_options() -> NoneType
Associates relevant options with the SnugDockProtocol class
13. register_options() -> NoneType
Register the options used by this mover with the global options
system.
14. register_options() -> NoneType
15. register_options() -> NoneType
Associate relevant options with the TemperedDocking class.
16. register_options() -> NoneType
17. register_options() -> NoneType
18. register_options() -> NoneType
Associates relevant options with the TemperedDocking class.
19. register_options() -> NoneType
20. register_options() -> NoneType
Associates relevant options with the ConstraintSetMover class
21. register_options() -> NoneType
22. register_options() -> NoneType
Associates relevant options with the DockingInitialPerturbation class
23. register_options() -> NoneType
Associates relevant options with the DockingProtocol class
24. register_options() -> NoneType
Associates relevant options with the TemperedDocking class
25. register_options() -> NoneType
26. register_options() -> NoneType
27. register_options() -> NoneType
28. register_options() -> NoneType
register options
29. register_options() -> NoneType
30. register_options() -> NoneType
Registers applicable options
31. register_options() -> NoneType
Register options with the option system.
32. register_options() -> NoneType
33. register_options() -> NoneType
34. register_options() -> NoneType
Associates relevant options with the LoopRefineInnerCycle class
35. register_options() -> NoneType
Associates relevant options with the LoopRefineInnerCycleContainer class
36. register_options() -> NoneType
Associates relevant options with the LoopRefineInnerCycle class
37. register_options() -> NoneType
Associates relevant options with the LoopRefineInnerCycle class
38. register_options() -> NoneType
39. register_options() -> NoneType
Register options with the option system.
40. register_options() -> NoneType
- set_cycles(...) from builtins.PyCapsule
- set_cycles(*args, **kwargs)
Overloaded function.
1. set_cycles(rosetta.protocols.abinitio.FragmentSampler) -> NoneType
2. set_cycles(self : rosetta.protocols.abinitio.FragmentSampler, increase_cycles : float) -> NoneType
- set_score_weight(...) from builtins.PyCapsule
- set_score_weight(*args, **kwargs)
Overloaded function.
1. set_score_weight(self : rosetta.protocols.abinitio.FragmentSampler, : rosetta.core.scoring.ScoreType, setting : float) -> NoneType
2. set_score_weight(self : rosetta.protocols.abinitio.FragmentSampler, : rosetta.core.scoring.ScoreType, setting : float, stage : rosetta.protocols.abinitio.StageID) -> NoneType
- set_stage4_cycles(...) from builtins.PyCapsule
- set_stage4_cycles(self : rosetta.protocols.abinitio.FragmentSampler, stage4_cycles_new : int) -> NoneType
- stage1_cycles(...) from builtins.PyCapsule
- stage1_cycles(rosetta.protocols.abinitio.FragmentSampler) -> int
- stage2_cycles(...) from builtins.PyCapsule
- stage2_cycles(rosetta.protocols.abinitio.FragmentSampler) -> int
- stage3_cycles(...) from builtins.PyCapsule
- stage3_cycles(rosetta.protocols.abinitio.FragmentSampler) -> int
- stage4_cycles(...) from builtins.PyCapsule
- stage4_cycles(rosetta.protocols.abinitio.FragmentSampler) -> int
- topology_broker(...) from builtins.PyCapsule
- topology_broker(self : rosetta.protocols.abinitio.FragmentSampler, set : protocols::topology_broker::TopologyBroker) -> NoneType
Methods inherited from rosetta.protocols.moves.Mover:
- clear_info(...) from builtins.PyCapsule
- clear_info(rosetta.protocols.moves.Mover) -> NoneType
Strings container can be used to return miscellaneous info (as std::string) from a mover, such as notes about the results of apply(). The job distributor (Apr 09 vintage) will check this function to see if your protocol wants to add string info to the Job that ran this mover. One way this can be useful is that later, a JobOutputter may include/append this info to an output file.
clear_info is called by jd2 before calling apply
- create(...) from builtins.PyCapsule
- create(rosetta.protocols.moves.Mover) -> rosetta.protocols.moves.Mover
- fresh_instance(...) from builtins.PyCapsule
- fresh_instance(rosetta.protocols.moves.Mover) -> rosetta.protocols.moves.Mover
Generates a new Mover object freshly created with the default ctor.
- get_additional_output(...) from builtins.PyCapsule
- get_additional_output(rosetta.protocols.moves.Mover) -> rosetta.core.pose.Pose
fpd
Mechanism by which a mover may return multiple output poses from a single input pose.
- get_current_job(...) from builtins.PyCapsule
- get_current_job(rosetta.protocols.moves.Mover) -> protocols::jobdist::BasicJob
- get_current_tag(...) from builtins.PyCapsule
- get_current_tag(rosetta.protocols.moves.Mover) -> str
A tag is a unique identifier used to identify structures produced
by this Mover. get_current_tag() returns the tag, and set_current_tag( std::string tag )
sets the tag. This functionality is not intended for use with the 2008 job distributor.
- get_input_pose(...) from builtins.PyCapsule
- get_input_pose(rosetta.protocols.moves.Mover) -> rosetta.core.pose.Pose
- get_last_move_status(...) from builtins.PyCapsule
- get_last_move_status(rosetta.protocols.moves.Mover) -> rosetta.protocols.moves.MoverStatus
returns status after an apply(). The job distributor (august 08 vintage) will check this function to see if your protocol wants to filter its results - if your protocol wants to say "that run was no good, skip it" then use the protected last_move_status(MoverStatus) to change the value that this function will return.
- get_native_pose(...) from builtins.PyCapsule
- get_native_pose(rosetta.protocols.moves.Mover) -> rosetta.core.pose.Pose
- get_self_ptr(...) from builtins.PyCapsule
- get_self_ptr(*args, **kwargs)
Overloaded function.
1. get_self_ptr(rosetta.protocols.moves.Mover) -> rosetta.protocols.moves.Mover
2. get_self_ptr(rosetta.protocols.moves.Mover) -> rosetta.protocols.moves.Mover
- get_self_weak_ptr(...) from builtins.PyCapsule
- get_self_weak_ptr(*args, **kwargs)
Overloaded function.
1. get_self_weak_ptr(rosetta.protocols.moves.Mover) -> rosetta.std.weak_ptr_const_protocols_moves_Mover_t
2. get_self_weak_ptr(rosetta.protocols.moves.Mover) -> rosetta.std.weak_ptr_protocols_moves_Mover_t
- get_type(...) from builtins.PyCapsule
- get_type(rosetta.protocols.moves.Mover) -> str
- info(...) from builtins.PyCapsule
- info(*args, **kwargs)
Overloaded function.
1. info(rosetta.protocols.moves.Mover) -> rosetta.std.list_std_string_std_allocator_std_string_t
non-const accessor
2. info(rosetta.protocols.moves.Mover) -> rosetta.std.list_std_string_std_allocator_std_string_t
const accessor
- last_proposal_density_ratio(...) from builtins.PyCapsule
- last_proposal_density_ratio(rosetta.protocols.moves.Mover) -> float
- name(...) from builtins.PyCapsule
- name() -> str
- reinitialize_for_each_job(...) from builtins.PyCapsule
- reinitialize_for_each_job(rosetta.protocols.moves.Mover) -> bool
Inform the Job Distributor (August '08 vintage) whether this object needs to be freshly regenerated on
each use.
- reinitialize_for_new_input(...) from builtins.PyCapsule
- reinitialize_for_new_input(rosetta.protocols.moves.Mover) -> bool
Inform the Job Distributor (August '08 vintage) whether this object needs to be regenerated when the input
pose is about to change, (for example, if the Mover has special code on the first apply() that is only valid for
that one input pose).
- reset_status(...) from builtins.PyCapsule
- reset_status(rosetta.protocols.moves.Mover) -> NoneType
resets status to SUCCESS, meant to be used before an apply(). The job distributor (august 08 vintage) uses this to ensure non-accumulation of status across apply()s.
- set_current_job(...) from builtins.PyCapsule
- set_current_job(self : rosetta.protocols.moves.Mover, job : protocols::jobdist::BasicJob) -> NoneType
////////////////////////////end Job Distributor interface////////////////////////////////////////
- set_current_tag(...) from builtins.PyCapsule
- set_current_tag(self : rosetta.protocols.moves.Mover, new_tag : str) -> NoneType
- set_input_pose(...) from builtins.PyCapsule
- set_input_pose(self : rosetta.protocols.moves.Mover, pose : rosetta.core.pose.Pose) -> NoneType
setter for poses contained for rms
- set_native_pose(...) from builtins.PyCapsule
- set_native_pose(self : rosetta.protocols.moves.Mover, pose : rosetta.core.pose.Pose) -> NoneType
setter for native poses contained for rms ---- we should get rid of this method? it is widely used, but a bit unsafe
- set_type(...) from builtins.PyCapsule
- set_type(self : rosetta.protocols.moves.Mover, setting : str) -> NoneType
- test_move(...) from builtins.PyCapsule
- test_move(self : rosetta.protocols.moves.Mover, pose : rosetta.core.pose.Pose) -> NoneType
: Unit test support function. Apply one move to a given pose.
Allows extra test specific functions to be called before applying
- type(...) from builtins.PyCapsule
- type(*args, **kwargs)
Overloaded function.
1. type(rosetta.protocols.moves.Mover) -> str
2. type(self : rosetta.protocols.moves.Mover, type_in : str) -> NoneType
|
class HedgeArchive(rosetta.protocols.jd2.archive.EvaluatedArchive) |
| |
- Method resolution order:
- HedgeArchive
- rosetta.protocols.jd2.archive.EvaluatedArchive
- rosetta.protocols.jd2.archive.ArchiveBase
- rosetta.protocols.jd2.archive.AbstractArchiveBase
- builtins.object
Methods defined here:
- __init__(...) from builtins.PyCapsule
- __init__(*args, **kwargs)
Overloaded function.
1. __init__(self : handle, name : str) -> NoneType
2. __init__(handle, rosetta.protocols.abinitio.HedgeArchive) -> NoneType
- __new__(*args, **kwargs) from builtins.type
- Create and return a new object. See help(type) for accurate signature.
- add_evaluated_structure(...) from builtins.PyCapsule
- add_evaluated_structure(self : rosetta.protocols.abinitio.HedgeArchive, : rosetta.core.io.silent.SilentStruct, alternative_decoy : rosetta.core.io.silent.SilentStruct, batch : protocols::jd2::archive::Batch) -> bool
- assign(...) from builtins.PyCapsule
- assign(self : rosetta.protocols.abinitio.HedgeArchive, : rosetta.protocols.abinitio.HedgeArchive) -> rosetta.protocols.abinitio.HedgeArchive
- collect(...) from builtins.PyCapsule
- collect(self : rosetta.protocols.abinitio.HedgeArchive, batch : protocols::jd2::archive::Batch, : rosetta.utility.vector1_std_shared_ptr_core_io_silent_SilentStruct_t) -> NoneType
- generate_batch(...) from builtins.PyCapsule
- generate_batch(rosetta.protocols.abinitio.HedgeArchive) -> NoneType
- init_from_decoy_set(...) from builtins.PyCapsule
- init_from_decoy_set(self : rosetta.protocols.abinitio.HedgeArchive, : rosetta.core.io.silent.SilentFileData) -> NoneType
overloaded to make input decoys appear the same as decoys coming from batches
- rescore(...) from builtins.PyCapsule
- rescore(rosetta.protocols.abinitio.HedgeArchive) -> NoneType
Methods inherited from rosetta.protocols.jd2.archive.EvaluatedArchive:
- add_evaluation(...) from builtins.PyCapsule
- add_evaluation(*args, **kwargs)
Overloaded function.
1. add_evaluation(self : rosetta.protocols.jd2.archive.EvaluatedArchive, : rosetta.protocols.evaluation.PoseEvaluator) -> NoneType
add new PoseEvaluation to set of evaluators, specify weight for contribution to select_score()
2. add_evaluation(self : rosetta.protocols.jd2.archive.EvaluatedArchive, : rosetta.protocols.evaluation.PoseEvaluator, weight : float) -> NoneType
add new PoseEvaluation to set of evaluators, specify weight for contribution to select_score()
- add_structure(...) from builtins.PyCapsule
- add_structure(self : rosetta.protocols.jd2.archive.EvaluatedArchive, new_decoy : rosetta.core.io.silent.SilentStruct, alternative_decoy : rosetta.core.io.silent.SilentStruct, batch : protocols::jd2::archive::Batch) -> bool
add decoy to Archive
evaluate decoy and call add_evaluated_structure
- evaluate_local(...) from builtins.PyCapsule
- evaluate_local(rosetta.protocols.jd2.archive.EvaluatedArchive) -> bool
specify if decoys are evaluated on the master or (non-local i.e., on the individual slave nodes)
- evaluate_silent_struct(...) from builtins.PyCapsule
- evaluate_silent_struct(self : rosetta.protocols.jd2.archive.EvaluatedArchive, from_batch : rosetta.core.io.silent.SilentStruct) -> rosetta.core.io.silent.SilentStruct
yields an "evaluated" silent-struct which can be queried with select_score
will run scoring-process if evaluate_local() otherwise just returns the intpu-silent-struct
- evaluators(...) from builtins.PyCapsule
- evaluators(rosetta.protocols.jd2.archive.EvaluatedArchive) -> rosetta.std.map_std_string_std_shared_ptr_const_protocols_evaluation_PoseEvaluator_t
- get_weight(...) from builtins.PyCapsule
- get_weight(self : rosetta.protocols.jd2.archive.EvaluatedArchive, column : str) -> float
- has_evaluator(...) from builtins.PyCapsule
- has_evaluator(self : rosetta.protocols.jd2.archive.EvaluatedArchive, column : str) -> bool
is a certain elvaluator present ?
- read_structures(...) from builtins.PyCapsule
- read_structures(self : rosetta.protocols.jd2.archive.EvaluatedArchive, sfd : rosetta.core.io.silent.SilentFileData, alternative_decoys : rosetta.core.io.silent.SilentFileData, batch : protocols::jd2::archive::Batch) -> NoneType
only overloaded this to add some verbosity each time we read structures
- register_options(...) from builtins.PyCapsule
- register_options(*args, **kwargs)
Overloaded function.
1. register_options() -> NoneType
2. register_options() -> NoneType
Archive specific options
3. register_options() -> NoneType
Archive specific options
4. register_options() -> NoneType
5. register_options() -> NoneType
6. register_options() -> NoneType
- remove_evaluation(...) from builtins.PyCapsule
- remove_evaluation(self : rosetta.protocols.jd2.archive.EvaluatedArchive, column : str) -> NoneType
remove Evaluator
- restore_from_file(...) from builtins.PyCapsule
- restore_from_file(rosetta.protocols.jd2.archive.EvaluatedArchive) -> bool
overloaded that we can sort the pool after reading
- save_to_file(...) from builtins.PyCapsule
- save_to_file(*args, **kwargs)
Overloaded function.
1. save_to_file(rosetta.protocols.jd2.archive.EvaluatedArchive) -> NoneType
overloaded to save / restore the variance_archive_
2. save_to_file(self : rosetta.protocols.jd2.archive.EvaluatedArchive, suffix : str) -> NoneType
overloaded to save / restore the variance_archive_
- score_variation(...) from builtins.PyCapsule
- score_variation(self : rosetta.protocols.jd2.archive.EvaluatedArchive, col : str) -> float
- score_variations(...) from builtins.PyCapsule
- score_variations(rosetta.protocols.jd2.archive.EvaluatedArchive) -> rosetta.std.map_std_string_double
- scorefxn(...) from builtins.PyCapsule
- scorefxn(rosetta.protocols.jd2.archive.EvaluatedArchive) -> rosetta.core.scoring.ScoreFunction
- select_score(...) from builtins.PyCapsule
- select_score(self : rosetta.protocols.jd2.archive.EvaluatedArchive, evaluated_decoy : rosetta.core.io.silent.SilentStruct) -> float
compute score according to select_weights --- this can contain any evaluator columns
- set_evaluate_local(...) from builtins.PyCapsule
- set_evaluate_local(self : rosetta.protocols.jd2.archive.EvaluatedArchive, setting : bool) -> NoneType
- set_evaluators(...) from builtins.PyCapsule
- set_evaluators(self : rosetta.protocols.jd2.archive.EvaluatedArchive, : rosetta.std.map_std_string_std_shared_ptr_const_protocols_evaluation_PoseEvaluator_t, : rosetta.std.map_std_string_double) -> NoneType
- set_scorefxn(...) from builtins.PyCapsule
- set_scorefxn(self : rosetta.protocols.jd2.archive.EvaluatedArchive, scorefxn_ : rosetta.core.scoring.ScoreFunction) -> NoneType
set scorefxn used for evaluation
- set_weight(...) from builtins.PyCapsule
- set_weight(self : rosetta.protocols.jd2.archive.EvaluatedArchive, column : str, weight : float) -> NoneType
set weight of an evaluator or a column otherwise present in silent-structs
(i.e, score, chainbreak, external evaluation like score_final )
- set_weights(...) from builtins.PyCapsule
- set_weights(self : rosetta.protocols.jd2.archive.EvaluatedArchive, setting : rosetta.std.map_std_string_double) -> NoneType
- setup_default_evaluators(...) from builtins.PyCapsule
- setup_default_evaluators(rosetta.protocols.jd2.archive.EvaluatedArchive) -> NoneType
set common evaluators: eg. ConstraintEvaluator if -cst_file is present
- start_evaluation_timer(...) from builtins.PyCapsule
- start_evaluation_timer(rosetta.protocols.jd2.archive.EvaluatedArchive) -> NoneType
- weights(...) from builtins.PyCapsule
- weights(rosetta.protocols.jd2.archive.EvaluatedArchive) -> rosetta.std.map_std_string_double
Methods inherited from rosetta.protocols.jd2.archive.ArchiveBase:
- accepts_since_last_batch(...) from builtins.PyCapsule
- accepts_since_last_batch(*args, **kwargs)
Overloaded function.
1. accepts_since_last_batch(rosetta.protocols.jd2.archive.ArchiveBase) -> int
---- methods to keep statistics of acceptance
2. accepts_since_last_batch(rosetta.protocols.jd2.archive.ArchiveBase) -> int
- current_acceptance_ratio(...) from builtins.PyCapsule
- current_acceptance_ratio(rosetta.protocols.jd2.archive.ArchiveBase) -> float
- decoys(...) from builtins.PyCapsule
- decoys(*args, **kwargs)
Overloaded function.
1. decoys(rosetta.protocols.jd2.archive.ArchiveBase) -> rosetta.std.list_std_shared_ptr_core_io_silent_SilentStruct_std_allocator_std_shared_ptr_core_io_silent_SilentStruct_t
2. decoys(rosetta.protocols.jd2.archive.ArchiveBase) -> rosetta.std.list_std_shared_ptr_core_io_silent_SilentStruct_std_allocator_std_shared_ptr_core_io_silent_SilentStruct_t
- finished(...) from builtins.PyCapsule
- finished(rosetta.protocols.jd2.archive.ArchiveBase) -> bool
- idle(...) from builtins.PyCapsule
- idle(rosetta.protocols.jd2.archive.ArchiveBase) -> NoneType
called when nothing is happening
- initialize(...) from builtins.PyCapsule
- initialize(rosetta.protocols.jd2.archive.ArchiveBase) -> NoneType
- load_decoys(...) from builtins.PyCapsule
- load_decoys(self : rosetta.protocols.jd2.archive.ArchiveBase, filename : str, decoys : rosetta.std.list_std_shared_ptr_core_io_silent_SilentStruct_std_allocator_std_shared_ptr_core_io_silent_SilentStruct_t) -> NoneType
- nstruct(...) from builtins.PyCapsule
- nstruct(rosetta.protocols.jd2.archive.ArchiveBase) -> int
how many structures should be in archive .. varies from decoys().size() in startup phase.
- proposed_since_last_batch(...) from builtins.PyCapsule
- proposed_since_last_batch(rosetta.protocols.jd2.archive.ArchiveBase) -> int
- reset_accept_counter(...) from builtins.PyCapsule
- reset_accept_counter(rosetta.protocols.jd2.archive.ArchiveBase) -> NoneType
- save_decoys(...) from builtins.PyCapsule
- save_decoys(self : rosetta.protocols.jd2.archive.ArchiveBase, dirname : str, name : str, decoys : rosetta.std.list_std_shared_ptr_core_io_silent_SilentStruct_std_allocator_std_shared_ptr_core_io_silent_SilentStruct_t) -> NoneType
helper routine to save decoys properly
- set_nstruct(...) from builtins.PyCapsule
- set_nstruct(self : rosetta.protocols.jd2.archive.ArchiveBase, set : int) -> NoneType
set target size of pool
- statistics_valid(...) from builtins.PyCapsule
- statistics_valid(rosetta.protocols.jd2.archive.ArchiveBase) -> bool
- total_accepts(...) from builtins.PyCapsule
- total_accepts(rosetta.protocols.jd2.archive.ArchiveBase) -> int
- total_proposed(...) from builtins.PyCapsule
- total_proposed(rosetta.protocols.jd2.archive.ArchiveBase) -> int
Methods inherited from rosetta.protocols.jd2.archive.AbstractArchiveBase:
- manager(...) from builtins.PyCapsule
- manager(rosetta.protocols.jd2.archive.AbstractArchiveBase) -> protocols::jd2::archive::BaseArchiveManager
access to the ArchiveManager (control of batches)
- name(...) from builtins.PyCapsule
- name(rosetta.protocols.jd2.archive.AbstractArchiveBase) -> str
- set_manager(...) from builtins.PyCapsule
- set_manager(self : rosetta.protocols.jd2.archive.AbstractArchiveBase, manager : protocols::jd2::archive::BaseArchiveManager) -> NoneType
- set_name(...) from builtins.PyCapsule
- set_name(self : rosetta.protocols.jd2.archive.AbstractArchiveBase, set : str) -> NoneType
set name of archive ( used also for save_to_file and restore_from_file )
- still_interested(...) from builtins.PyCapsule
- still_interested(self : rosetta.protocols.jd2.archive.AbstractArchiveBase, : protocols::jd2::archive::Batch) -> bool
old-batches might be outdated and should not be computed anymore
return true for this query if this is the case for old_batch
|
class IterativeAbrelax(IterativeBase) |
| |
- Method resolution order:
- IterativeAbrelax
- IterativeBase
- rosetta.protocols.jd2.archive.NormalizedEvaluatedArchive
- rosetta.protocols.jd2.archive.EvaluatedArchive
- rosetta.protocols.jd2.archive.ArchiveBase
- rosetta.protocols.jd2.archive.AbstractArchiveBase
- builtins.object
Methods defined here:
- __init__(...) from builtins.PyCapsule
- __init__(*args, **kwargs)
Overloaded function.
1. __init__(handle) -> NoneType
2. __init__(handle, rosetta.protocols.abinitio.IterativeAbrelax) -> NoneType
- __new__(*args, **kwargs) from builtins.type
- Create and return a new object. See help(type) for accurate signature.
- finished(...) from builtins.PyCapsule
- finished(rosetta.protocols.abinitio.IterativeAbrelax) -> bool
- generate_batch(...) from builtins.PyCapsule
- generate_batch(*args, **kwargs)
Overloaded function.
1. generate_batch(rosetta.protocols.abinitio.IterativeAbrelax) -> NoneType
2. generate_batch(self : rosetta.protocols.abinitio.IterativeAbrelax, : protocols::jd2::archive::Batch, repeat_id : int) -> int
- idle(...) from builtins.PyCapsule
- idle(rosetta.protocols.abinitio.IterativeAbrelax) -> NoneType
- init_from_decoy_set(...) from builtins.PyCapsule
- init_from_decoy_set(self : rosetta.protocols.abinitio.IterativeAbrelax, : rosetta.core.io.silent.SilentFileData) -> NoneType
- initialize(...) from builtins.PyCapsule
- initialize(rosetta.protocols.abinitio.IterativeAbrelax) -> NoneType
- read_structures(...) from builtins.PyCapsule
- read_structures(self : rosetta.protocols.abinitio.IterativeAbrelax, sfd : rosetta.core.io.silent.SilentFileData, alternative_decoys : rosetta.core.io.silent.SilentFileData, batch : protocols::jd2::archive::Batch) -> NoneType
- register_options(...) from builtins.PyCapsule
- register_options(*args, **kwargs)
Overloaded function.
1. register_options() -> NoneType
2. register_options() -> NoneType
Archive specific options
3. register_options() -> NoneType
Archive specific options
4. register_options() -> NoneType
5. register_options() -> NoneType
6. register_options() -> NoneType
- restore_from_file(...) from builtins.PyCapsule
- restore_from_file(rosetta.protocols.abinitio.IterativeAbrelax) -> bool
- save_to_file(...) from builtins.PyCapsule
- save_to_file(*args, **kwargs)
Overloaded function.
1. save_to_file(rosetta.protocols.abinitio.IterativeAbrelax) -> NoneType
2. save_to_file(self : rosetta.protocols.abinitio.IterativeAbrelax, suffix : str) -> NoneType
- set_manager(...) from builtins.PyCapsule
- set_manager(self : rosetta.protocols.abinitio.IterativeAbrelax, manager : protocols::jd2::archive::BaseArchiveManager) -> NoneType
- still_interested(...) from builtins.PyCapsule
- still_interested(self : rosetta.protocols.abinitio.IterativeAbrelax, batch : protocols::jd2::archive::Batch) -> bool
Methods inherited from IterativeBase:
- add_structure(...) from builtins.PyCapsule
- add_structure(self : rosetta.protocols.abinitio.IterativeBase, new_decoy : rosetta.core.io.silent.SilentStruct, alternative_decoy : rosetta.core.io.silent.SilentStruct, : protocols::jd2::archive::Batch) -> bool
overloaded to handel special convergence check 'pool_converged_rmsd'
add structure to Archive.. return false if structure is rejected.
- gen_diversity_pool(...) from builtins.PyCapsule
- gen_diversity_pool(*args, **kwargs)
Overloaded function.
1. gen_diversity_pool(self : rosetta.protocols.abinitio.IterativeBase, : protocols::jd2::archive::Batch) -> NoneType
2. gen_diversity_pool(self : rosetta.protocols.abinitio.IterativeBase, : protocols::jd2::archive::Batch, fullatom : bool) -> NoneType
- gen_dynamic_patches(...) from builtins.PyCapsule
- gen_dynamic_patches(self : rosetta.protocols.abinitio.IterativeBase, batch : protocols::jd2::archive::Batch) -> NoneType
- gen_evaluation_output(...) from builtins.PyCapsule
- gen_evaluation_output(*args, **kwargs)
Overloaded function.
1. gen_evaluation_output(self : rosetta.protocols.abinitio.IterativeBase, batch : protocols::jd2::archive::Batch) -> NoneType
generate flags and stuff for the out-sourced evaluation ---> such that score_final column is returned for each decoy
note needs to be public, since IterativeCentroid calls this from IterativeFullatom to prepare evaluation for soon to be full-atom decoys
2. gen_evaluation_output(self : rosetta.protocols.abinitio.IterativeBase, batch : protocols::jd2::archive::Batch, fullatom : bool) -> NoneType
generate flags and stuff for the out-sourced evaluation ---> such that score_final column is returned for each decoy
note needs to be public, since IterativeCentroid calls this from IterativeFullatom to prepare evaluation for soon to be full-atom decoys
- ready_for_batch(...) from builtins.PyCapsule
- ready_for_batch(rosetta.protocols.abinitio.IterativeBase) -> bool
we are always ready to generate a new batch
- rescore(...) from builtins.PyCapsule
- rescore(rosetta.protocols.abinitio.IterativeBase) -> NoneType
- set_finish_stage(...) from builtins.PyCapsule
- set_finish_stage(self : rosetta.protocols.abinitio.IterativeBase, setting : rosetta.protocols.abinitio.IterationStage) -> NoneType
where to stop ?
- setup_default_evaluators(...) from builtins.PyCapsule
- setup_default_evaluators(rosetta.protocols.abinitio.IterativeBase) -> NoneType
setup JumpNrEvaluator
- test_for_stage_end(...) from builtins.PyCapsule
- test_for_stage_end(rosetta.protocols.abinitio.IterativeBase) -> NoneType
calls increment_stage() if appropriate
- update_noesy_filter_files(...) from builtins.PyCapsule
- update_noesy_filter_files(self : rosetta.protocols.abinitio.IterativeBase, current : str, fullatom : bool) -> NoneType
Data and other attributes inherited from IterativeBase:
- CEN2FULLATOM = IterationStage.LAST_CENTROID_START
- ENUMERATION = IterationStage.ENUMERATION
- FINISHED = IterationStage.FINISHED
- IterationStage = <class 'rosetta.protocols.abinitio.IterativeBase.IterationStage'>
- LAST_CENTROID_START = IterationStage.LAST_CENTROID_START
- NOESY_PHASEII_S2_RESAMPLING = IterationStage.NOESY_PHASEII_S2_RESAMPLING
- NOESY_PHASEII_TOPO = IterationStage.NOESY_PHASEII_TOPO
- PURE_TOPO_RESAMPLING = IterationStage.PURE_TOPO_RESAMPLING
- RIGID_CORE_RESAMPLING = IterationStage.RIGID_CORE_RESAMPLING
- STAGE2_RESAMPLING = IterationStage.STAGE2_RESAMPLING
- TOPO_RESAMPLING = IterationStage.TOPO_RESAMPLING
Methods inherited from rosetta.protocols.jd2.archive.NormalizedEvaluatedArchive:
- add_evaluated_structure(...) from builtins.PyCapsule
- add_evaluated_structure(self : rosetta.protocols.jd2.archive.NormalizedEvaluatedArchive, from_batch : rosetta.core.io.silent.SilentStruct, alternative_decoy : rosetta.core.io.silent.SilentStruct, : protocols::jd2::archive::Batch) -> bool
add decoy to Archive
evaluate decoy and call add_evaluated_structure
- assign(...) from builtins.PyCapsule
- assign(self : rosetta.protocols.jd2.archive.NormalizedEvaluatedArchive, : rosetta.protocols.jd2.archive.NormalizedEvaluatedArchive) -> rosetta.protocols.jd2.archive.NormalizedEvaluatedArchive
- determine_score_variations(...) from builtins.PyCapsule
- determine_score_variations(rosetta.protocols.jd2.archive.NormalizedEvaluatedArchive) -> bool
determine variation of scores (those that are non-zeros in select_weights_ )
- init_from_options(...) from builtins.PyCapsule
- init_from_options(rosetta.protocols.jd2.archive.NormalizedEvaluatedArchive) -> NoneType
- score_variation(...) from builtins.PyCapsule
- score_variation(self : rosetta.protocols.jd2.archive.NormalizedEvaluatedArchive, col : str) -> float
- score_variations(...) from builtins.PyCapsule
- score_variations(rosetta.protocols.jd2.archive.NormalizedEvaluatedArchive) -> rosetta.std.map_std_string_double
Methods inherited from rosetta.protocols.jd2.archive.EvaluatedArchive:
- add_evaluation(...) from builtins.PyCapsule
- add_evaluation(*args, **kwargs)
Overloaded function.
1. add_evaluation(self : rosetta.protocols.jd2.archive.EvaluatedArchive, : rosetta.protocols.evaluation.PoseEvaluator) -> NoneType
add new PoseEvaluation to set of evaluators, specify weight for contribution to select_score()
2. add_evaluation(self : rosetta.protocols.jd2.archive.EvaluatedArchive, : rosetta.protocols.evaluation.PoseEvaluator, weight : float) -> NoneType
add new PoseEvaluation to set of evaluators, specify weight for contribution to select_score()
- evaluate_local(...) from builtins.PyCapsule
- evaluate_local(rosetta.protocols.jd2.archive.EvaluatedArchive) -> bool
specify if decoys are evaluated on the master or (non-local i.e., on the individual slave nodes)
- evaluate_silent_struct(...) from builtins.PyCapsule
- evaluate_silent_struct(self : rosetta.protocols.jd2.archive.EvaluatedArchive, from_batch : rosetta.core.io.silent.SilentStruct) -> rosetta.core.io.silent.SilentStruct
yields an "evaluated" silent-struct which can be queried with select_score
will run scoring-process if evaluate_local() otherwise just returns the intpu-silent-struct
- evaluators(...) from builtins.PyCapsule
- evaluators(rosetta.protocols.jd2.archive.EvaluatedArchive) -> rosetta.std.map_std_string_std_shared_ptr_const_protocols_evaluation_PoseEvaluator_t
- get_weight(...) from builtins.PyCapsule
- get_weight(self : rosetta.protocols.jd2.archive.EvaluatedArchive, column : str) -> float
- has_evaluator(...) from builtins.PyCapsule
- has_evaluator(self : rosetta.protocols.jd2.archive.EvaluatedArchive, column : str) -> bool
is a certain elvaluator present ?
- remove_evaluation(...) from builtins.PyCapsule
- remove_evaluation(self : rosetta.protocols.jd2.archive.EvaluatedArchive, column : str) -> NoneType
remove Evaluator
- scorefxn(...) from builtins.PyCapsule
- scorefxn(rosetta.protocols.jd2.archive.EvaluatedArchive) -> rosetta.core.scoring.ScoreFunction
- select_score(...) from builtins.PyCapsule
- select_score(self : rosetta.protocols.jd2.archive.EvaluatedArchive, evaluated_decoy : rosetta.core.io.silent.SilentStruct) -> float
compute score according to select_weights --- this can contain any evaluator columns
- set_evaluate_local(...) from builtins.PyCapsule
- set_evaluate_local(self : rosetta.protocols.jd2.archive.EvaluatedArchive, setting : bool) -> NoneType
- set_evaluators(...) from builtins.PyCapsule
- set_evaluators(self : rosetta.protocols.jd2.archive.EvaluatedArchive, : rosetta.std.map_std_string_std_shared_ptr_const_protocols_evaluation_PoseEvaluator_t, : rosetta.std.map_std_string_double) -> NoneType
- set_scorefxn(...) from builtins.PyCapsule
- set_scorefxn(self : rosetta.protocols.jd2.archive.EvaluatedArchive, scorefxn_ : rosetta.core.scoring.ScoreFunction) -> NoneType
set scorefxn used for evaluation
- set_weight(...) from builtins.PyCapsule
- set_weight(self : rosetta.protocols.jd2.archive.EvaluatedArchive, column : str, weight : float) -> NoneType
set weight of an evaluator or a column otherwise present in silent-structs
(i.e, score, chainbreak, external evaluation like score_final )
- set_weights(...) from builtins.PyCapsule
- set_weights(self : rosetta.protocols.jd2.archive.EvaluatedArchive, setting : rosetta.std.map_std_string_double) -> NoneType
- start_evaluation_timer(...) from builtins.PyCapsule
- start_evaluation_timer(rosetta.protocols.jd2.archive.EvaluatedArchive) -> NoneType
- weights(...) from builtins.PyCapsule
- weights(rosetta.protocols.jd2.archive.EvaluatedArchive) -> rosetta.std.map_std_string_double
Methods inherited from rosetta.protocols.jd2.archive.ArchiveBase:
- accepts_since_last_batch(...) from builtins.PyCapsule
- accepts_since_last_batch(*args, **kwargs)
Overloaded function.
1. accepts_since_last_batch(rosetta.protocols.jd2.archive.ArchiveBase) -> int
---- methods to keep statistics of acceptance
2. accepts_since_last_batch(rosetta.protocols.jd2.archive.ArchiveBase) -> int
- current_acceptance_ratio(...) from builtins.PyCapsule
- current_acceptance_ratio(rosetta.protocols.jd2.archive.ArchiveBase) -> float
- decoys(...) from builtins.PyCapsule
- decoys(*args, **kwargs)
Overloaded function.
1. decoys(rosetta.protocols.jd2.archive.ArchiveBase) -> rosetta.std.list_std_shared_ptr_core_io_silent_SilentStruct_std_allocator_std_shared_ptr_core_io_silent_SilentStruct_t
2. decoys(rosetta.protocols.jd2.archive.ArchiveBase) -> rosetta.std.list_std_shared_ptr_core_io_silent_SilentStruct_std_allocator_std_shared_ptr_core_io_silent_SilentStruct_t
- load_decoys(...) from builtins.PyCapsule
- load_decoys(self : rosetta.protocols.jd2.archive.ArchiveBase, filename : str, decoys : rosetta.std.list_std_shared_ptr_core_io_silent_SilentStruct_std_allocator_std_shared_ptr_core_io_silent_SilentStruct_t) -> NoneType
- nstruct(...) from builtins.PyCapsule
- nstruct(rosetta.protocols.jd2.archive.ArchiveBase) -> int
how many structures should be in archive .. varies from decoys().size() in startup phase.
- proposed_since_last_batch(...) from builtins.PyCapsule
- proposed_since_last_batch(rosetta.protocols.jd2.archive.ArchiveBase) -> int
- reset_accept_counter(...) from builtins.PyCapsule
- reset_accept_counter(rosetta.protocols.jd2.archive.ArchiveBase) -> NoneType
- save_decoys(...) from builtins.PyCapsule
- save_decoys(self : rosetta.protocols.jd2.archive.ArchiveBase, dirname : str, name : str, decoys : rosetta.std.list_std_shared_ptr_core_io_silent_SilentStruct_std_allocator_std_shared_ptr_core_io_silent_SilentStruct_t) -> NoneType
helper routine to save decoys properly
- set_nstruct(...) from builtins.PyCapsule
- set_nstruct(self : rosetta.protocols.jd2.archive.ArchiveBase, set : int) -> NoneType
set target size of pool
- statistics_valid(...) from builtins.PyCapsule
- statistics_valid(rosetta.protocols.jd2.archive.ArchiveBase) -> bool
- total_accepts(...) from builtins.PyCapsule
- total_accepts(rosetta.protocols.jd2.archive.ArchiveBase) -> int
- total_proposed(...) from builtins.PyCapsule
- total_proposed(rosetta.protocols.jd2.archive.ArchiveBase) -> int
Methods inherited from rosetta.protocols.jd2.archive.AbstractArchiveBase:
- manager(...) from builtins.PyCapsule
- manager(rosetta.protocols.jd2.archive.AbstractArchiveBase) -> protocols::jd2::archive::BaseArchiveManager
access to the ArchiveManager (control of batches)
- name(...) from builtins.PyCapsule
- name(rosetta.protocols.jd2.archive.AbstractArchiveBase) -> str
- set_name(...) from builtins.PyCapsule
- set_name(self : rosetta.protocols.jd2.archive.AbstractArchiveBase, set : str) -> NoneType
set name of archive ( used also for save_to_file and restore_from_file )
|
class IterativeBase(rosetta.protocols.jd2.archive.NormalizedEvaluatedArchive) |
| |
- Method resolution order:
- IterativeBase
- rosetta.protocols.jd2.archive.NormalizedEvaluatedArchive
- rosetta.protocols.jd2.archive.EvaluatedArchive
- rosetta.protocols.jd2.archive.ArchiveBase
- rosetta.protocols.jd2.archive.AbstractArchiveBase
- builtins.object
Methods defined here:
- __init__(...) from builtins.PyCapsule
- __init__(*args, **kwargs)
Overloaded function.
1. __init__(self : handle, name : str) -> NoneType
2. __init__(handle, rosetta.protocols.abinitio.IterativeBase) -> NoneType
- __new__(*args, **kwargs) from builtins.type
- Create and return a new object. See help(type) for accurate signature.
- add_structure(...) from builtins.PyCapsule
- add_structure(self : rosetta.protocols.abinitio.IterativeBase, new_decoy : rosetta.core.io.silent.SilentStruct, alternative_decoy : rosetta.core.io.silent.SilentStruct, : protocols::jd2::archive::Batch) -> bool
overloaded to handel special convergence check 'pool_converged_rmsd'
add structure to Archive.. return false if structure is rejected.
- finished(...) from builtins.PyCapsule
- finished(rosetta.protocols.abinitio.IterativeBase) -> bool
archive is finished when at last stage
- gen_diversity_pool(...) from builtins.PyCapsule
- gen_diversity_pool(*args, **kwargs)
Overloaded function.
1. gen_diversity_pool(self : rosetta.protocols.abinitio.IterativeBase, : protocols::jd2::archive::Batch) -> NoneType
2. gen_diversity_pool(self : rosetta.protocols.abinitio.IterativeBase, : protocols::jd2::archive::Batch, fullatom : bool) -> NoneType
- gen_dynamic_patches(...) from builtins.PyCapsule
- gen_dynamic_patches(self : rosetta.protocols.abinitio.IterativeBase, batch : protocols::jd2::archive::Batch) -> NoneType
- gen_evaluation_output(...) from builtins.PyCapsule
- gen_evaluation_output(*args, **kwargs)
Overloaded function.
1. gen_evaluation_output(self : rosetta.protocols.abinitio.IterativeBase, batch : protocols::jd2::archive::Batch) -> NoneType
generate flags and stuff for the out-sourced evaluation ---> such that score_final column is returned for each decoy
note needs to be public, since IterativeCentroid calls this from IterativeFullatom to prepare evaluation for soon to be full-atom decoys
2. gen_evaluation_output(self : rosetta.protocols.abinitio.IterativeBase, batch : protocols::jd2::archive::Batch, fullatom : bool) -> NoneType
generate flags and stuff for the out-sourced evaluation ---> such that score_final column is returned for each decoy
note needs to be public, since IterativeCentroid calls this from IterativeFullatom to prepare evaluation for soon to be full-atom decoys
- generate_batch(...) from builtins.PyCapsule
- generate_batch(*args, **kwargs)
Overloaded function.
1. generate_batch(rosetta.protocols.abinitio.IterativeBase) -> NoneType
generate a new batch, use different recipe according to current stage
2. generate_batch(self : rosetta.protocols.abinitio.IterativeBase, : protocols::jd2::archive::Batch, repeat_id : int) -> int
- idle(...) from builtins.PyCapsule
- idle(rosetta.protocols.abinitio.IterativeBase) -> NoneType
while waiting for jobs to finish
- init_from_decoy_set(...) from builtins.PyCapsule
- init_from_decoy_set(self : rosetta.protocols.abinitio.IterativeBase, sfd : rosetta.core.io.silent.SilentFileData) -> NoneType
overloaded to make input decoys appear the same as decoys coming from batches
- initialize(...) from builtins.PyCapsule
- initialize(rosetta.protocols.abinitio.IterativeBase) -> NoneType
do initializing work that requires fully setup object here
- read_structures(...) from builtins.PyCapsule
- read_structures(self : rosetta.protocols.abinitio.IterativeBase, sfd : rosetta.core.io.silent.SilentFileData, alternative_decoys : rosetta.core.io.silent.SilentFileData, batch : protocols::jd2::archive::Batch) -> NoneType
overloaded so we can test for end of IterationStage after reading
- ready_for_batch(...) from builtins.PyCapsule
- ready_for_batch(rosetta.protocols.abinitio.IterativeBase) -> bool
we are always ready to generate a new batch
- register_options(...) from builtins.PyCapsule
- register_options(*args, **kwargs)
Overloaded function.
1. register_options() -> NoneType
2. register_options() -> NoneType
Archive specific options
3. register_options() -> NoneType
Archive specific options
4. register_options() -> NoneType
5. register_options() -> NoneType
6. register_options() -> NoneType
- rescore(...) from builtins.PyCapsule
- rescore(rosetta.protocols.abinitio.IterativeBase) -> NoneType
- set_finish_stage(...) from builtins.PyCapsule
- set_finish_stage(self : rosetta.protocols.abinitio.IterativeBase, setting : rosetta.protocols.abinitio.IterationStage) -> NoneType
where to stop ?
- setup_default_evaluators(...) from builtins.PyCapsule
- setup_default_evaluators(rosetta.protocols.abinitio.IterativeBase) -> NoneType
setup JumpNrEvaluator
- still_interested(...) from builtins.PyCapsule
- still_interested(self : rosetta.protocols.abinitio.IterativeBase, batch : protocols::jd2::archive::Batch) -> bool
we are not interested in batches that were generated in old stages
- test_for_stage_end(...) from builtins.PyCapsule
- test_for_stage_end(rosetta.protocols.abinitio.IterativeBase) -> NoneType
calls increment_stage() if appropriate
- update_noesy_filter_files(...) from builtins.PyCapsule
- update_noesy_filter_files(self : rosetta.protocols.abinitio.IterativeBase, current : str, fullatom : bool) -> NoneType
Data and other attributes defined here:
- CEN2FULLATOM = IterationStage.LAST_CENTROID_START
- ENUMERATION = IterationStage.ENUMERATION
- FINISHED = IterationStage.FINISHED
- IterationStage = <class 'rosetta.protocols.abinitio.IterativeBase.IterationStage'>
- LAST_CENTROID_START = IterationStage.LAST_CENTROID_START
- NOESY_PHASEII_S2_RESAMPLING = IterationStage.NOESY_PHASEII_S2_RESAMPLING
- NOESY_PHASEII_TOPO = IterationStage.NOESY_PHASEII_TOPO
- PURE_TOPO_RESAMPLING = IterationStage.PURE_TOPO_RESAMPLING
- RIGID_CORE_RESAMPLING = IterationStage.RIGID_CORE_RESAMPLING
- STAGE2_RESAMPLING = IterationStage.STAGE2_RESAMPLING
- TOPO_RESAMPLING = IterationStage.TOPO_RESAMPLING
Methods inherited from rosetta.protocols.jd2.archive.NormalizedEvaluatedArchive:
- add_evaluated_structure(...) from builtins.PyCapsule
- add_evaluated_structure(self : rosetta.protocols.jd2.archive.NormalizedEvaluatedArchive, from_batch : rosetta.core.io.silent.SilentStruct, alternative_decoy : rosetta.core.io.silent.SilentStruct, : protocols::jd2::archive::Batch) -> bool
add decoy to Archive
evaluate decoy and call add_evaluated_structure
- assign(...) from builtins.PyCapsule
- assign(self : rosetta.protocols.jd2.archive.NormalizedEvaluatedArchive, : rosetta.protocols.jd2.archive.NormalizedEvaluatedArchive) -> rosetta.protocols.jd2.archive.NormalizedEvaluatedArchive
- determine_score_variations(...) from builtins.PyCapsule
- determine_score_variations(rosetta.protocols.jd2.archive.NormalizedEvaluatedArchive) -> bool
determine variation of scores (those that are non-zeros in select_weights_ )
- init_from_options(...) from builtins.PyCapsule
- init_from_options(rosetta.protocols.jd2.archive.NormalizedEvaluatedArchive) -> NoneType
- restore_from_file(...) from builtins.PyCapsule
- restore_from_file(rosetta.protocols.jd2.archive.NormalizedEvaluatedArchive) -> bool
overloaded that we can sort the pool after reading
- save_to_file(...) from builtins.PyCapsule
- save_to_file(*args, **kwargs)
Overloaded function.
1. save_to_file(rosetta.protocols.jd2.archive.NormalizedEvaluatedArchive) -> NoneType
overloaded to save / restore the variance_archive_
2. save_to_file(self : rosetta.protocols.jd2.archive.NormalizedEvaluatedArchive, suffix : str) -> NoneType
overloaded to save / restore the variance_archive_
- score_variation(...) from builtins.PyCapsule
- score_variation(self : rosetta.protocols.jd2.archive.NormalizedEvaluatedArchive, col : str) -> float
- score_variations(...) from builtins.PyCapsule
- score_variations(rosetta.protocols.jd2.archive.NormalizedEvaluatedArchive) -> rosetta.std.map_std_string_double
Methods inherited from rosetta.protocols.jd2.archive.EvaluatedArchive:
- add_evaluation(...) from builtins.PyCapsule
- add_evaluation(*args, **kwargs)
Overloaded function.
1. add_evaluation(self : rosetta.protocols.jd2.archive.EvaluatedArchive, : rosetta.protocols.evaluation.PoseEvaluator) -> NoneType
add new PoseEvaluation to set of evaluators, specify weight for contribution to select_score()
2. add_evaluation(self : rosetta.protocols.jd2.archive.EvaluatedArchive, : rosetta.protocols.evaluation.PoseEvaluator, weight : float) -> NoneType
add new PoseEvaluation to set of evaluators, specify weight for contribution to select_score()
- evaluate_local(...) from builtins.PyCapsule
- evaluate_local(rosetta.protocols.jd2.archive.EvaluatedArchive) -> bool
specify if decoys are evaluated on the master or (non-local i.e., on the individual slave nodes)
- evaluate_silent_struct(...) from builtins.PyCapsule
- evaluate_silent_struct(self : rosetta.protocols.jd2.archive.EvaluatedArchive, from_batch : rosetta.core.io.silent.SilentStruct) -> rosetta.core.io.silent.SilentStruct
yields an "evaluated" silent-struct which can be queried with select_score
will run scoring-process if evaluate_local() otherwise just returns the intpu-silent-struct
- evaluators(...) from builtins.PyCapsule
- evaluators(rosetta.protocols.jd2.archive.EvaluatedArchive) -> rosetta.std.map_std_string_std_shared_ptr_const_protocols_evaluation_PoseEvaluator_t
- get_weight(...) from builtins.PyCapsule
- get_weight(self : rosetta.protocols.jd2.archive.EvaluatedArchive, column : str) -> float
- has_evaluator(...) from builtins.PyCapsule
- has_evaluator(self : rosetta.protocols.jd2.archive.EvaluatedArchive, column : str) -> bool
is a certain elvaluator present ?
- remove_evaluation(...) from builtins.PyCapsule
- remove_evaluation(self : rosetta.protocols.jd2.archive.EvaluatedArchive, column : str) -> NoneType
remove Evaluator
- scorefxn(...) from builtins.PyCapsule
- scorefxn(rosetta.protocols.jd2.archive.EvaluatedArchive) -> rosetta.core.scoring.ScoreFunction
- select_score(...) from builtins.PyCapsule
- select_score(self : rosetta.protocols.jd2.archive.EvaluatedArchive, evaluated_decoy : rosetta.core.io.silent.SilentStruct) -> float
compute score according to select_weights --- this can contain any evaluator columns
- set_evaluate_local(...) from builtins.PyCapsule
- set_evaluate_local(self : rosetta.protocols.jd2.archive.EvaluatedArchive, setting : bool) -> NoneType
- set_evaluators(...) from builtins.PyCapsule
- set_evaluators(self : rosetta.protocols.jd2.archive.EvaluatedArchive, : rosetta.std.map_std_string_std_shared_ptr_const_protocols_evaluation_PoseEvaluator_t, : rosetta.std.map_std_string_double) -> NoneType
- set_scorefxn(...) from builtins.PyCapsule
- set_scorefxn(self : rosetta.protocols.jd2.archive.EvaluatedArchive, scorefxn_ : rosetta.core.scoring.ScoreFunction) -> NoneType
set scorefxn used for evaluation
- set_weight(...) from builtins.PyCapsule
- set_weight(self : rosetta.protocols.jd2.archive.EvaluatedArchive, column : str, weight : float) -> NoneType
set weight of an evaluator or a column otherwise present in silent-structs
(i.e, score, chainbreak, external evaluation like score_final )
- set_weights(...) from builtins.PyCapsule
- set_weights(self : rosetta.protocols.jd2.archive.EvaluatedArchive, setting : rosetta.std.map_std_string_double) -> NoneType
- start_evaluation_timer(...) from builtins.PyCapsule
- start_evaluation_timer(rosetta.protocols.jd2.archive.EvaluatedArchive) -> NoneType
- weights(...) from builtins.PyCapsule
- weights(rosetta.protocols.jd2.archive.EvaluatedArchive) -> rosetta.std.map_std_string_double
Methods inherited from rosetta.protocols.jd2.archive.ArchiveBase:
- accepts_since_last_batch(...) from builtins.PyCapsule
- accepts_since_last_batch(*args, **kwargs)
Overloaded function.
1. accepts_since_last_batch(rosetta.protocols.jd2.archive.ArchiveBase) -> int
---- methods to keep statistics of acceptance
2. accepts_since_last_batch(rosetta.protocols.jd2.archive.ArchiveBase) -> int
- current_acceptance_ratio(...) from builtins.PyCapsule
- current_acceptance_ratio(rosetta.protocols.jd2.archive.ArchiveBase) -> float
- decoys(...) from builtins.PyCapsule
- decoys(*args, **kwargs)
Overloaded function.
1. decoys(rosetta.protocols.jd2.archive.ArchiveBase) -> rosetta.std.list_std_shared_ptr_core_io_silent_SilentStruct_std_allocator_std_shared_ptr_core_io_silent_SilentStruct_t
2. decoys(rosetta.protocols.jd2.archive.ArchiveBase) -> rosetta.std.list_std_shared_ptr_core_io_silent_SilentStruct_std_allocator_std_shared_ptr_core_io_silent_SilentStruct_t
- load_decoys(...) from builtins.PyCapsule
- load_decoys(self : rosetta.protocols.jd2.archive.ArchiveBase, filename : str, decoys : rosetta.std.list_std_shared_ptr_core_io_silent_SilentStruct_std_allocator_std_shared_ptr_core_io_silent_SilentStruct_t) -> NoneType
- nstruct(...) from builtins.PyCapsule
- nstruct(rosetta.protocols.jd2.archive.ArchiveBase) -> int
how many structures should be in archive .. varies from decoys().size() in startup phase.
- proposed_since_last_batch(...) from builtins.PyCapsule
- proposed_since_last_batch(rosetta.protocols.jd2.archive.ArchiveBase) -> int
- reset_accept_counter(...) from builtins.PyCapsule
- reset_accept_counter(rosetta.protocols.jd2.archive.ArchiveBase) -> NoneType
- save_decoys(...) from builtins.PyCapsule
- save_decoys(self : rosetta.protocols.jd2.archive.ArchiveBase, dirname : str, name : str, decoys : rosetta.std.list_std_shared_ptr_core_io_silent_SilentStruct_std_allocator_std_shared_ptr_core_io_silent_SilentStruct_t) -> NoneType
helper routine to save decoys properly
- set_nstruct(...) from builtins.PyCapsule
- set_nstruct(self : rosetta.protocols.jd2.archive.ArchiveBase, set : int) -> NoneType
set target size of pool
- statistics_valid(...) from builtins.PyCapsule
- statistics_valid(rosetta.protocols.jd2.archive.ArchiveBase) -> bool
- total_accepts(...) from builtins.PyCapsule
- total_accepts(rosetta.protocols.jd2.archive.ArchiveBase) -> int
- total_proposed(...) from builtins.PyCapsule
- total_proposed(rosetta.protocols.jd2.archive.ArchiveBase) -> int
Methods inherited from rosetta.protocols.jd2.archive.AbstractArchiveBase:
- manager(...) from builtins.PyCapsule
- manager(rosetta.protocols.jd2.archive.AbstractArchiveBase) -> protocols::jd2::archive::BaseArchiveManager
access to the ArchiveManager (control of batches)
- name(...) from builtins.PyCapsule
- name(rosetta.protocols.jd2.archive.AbstractArchiveBase) -> str
- set_manager(...) from builtins.PyCapsule
- set_manager(self : rosetta.protocols.jd2.archive.AbstractArchiveBase, manager : protocols::jd2::archive::BaseArchiveManager) -> NoneType
- set_name(...) from builtins.PyCapsule
- set_name(self : rosetta.protocols.jd2.archive.AbstractArchiveBase, set : str) -> NoneType
set name of archive ( used also for save_to_file and restore_from_file )
|
class IterativeCentroid(IterativeBase) |
| |
- Method resolution order:
- IterativeCentroid
- IterativeBase
- rosetta.protocols.jd2.archive.NormalizedEvaluatedArchive
- rosetta.protocols.jd2.archive.EvaluatedArchive
- rosetta.protocols.jd2.archive.ArchiveBase
- rosetta.protocols.jd2.archive.AbstractArchiveBase
- builtins.object
Methods defined here:
- __init__(...) from builtins.PyCapsule
- __init__(*args, **kwargs)
Overloaded function.
1. __init__(self : handle, fullatom_pool_ptr : rosetta.protocols.abinitio.IterativeFullatom) -> NoneType
2. __init__(handle, rosetta.protocols.abinitio.IterativeCentroid) -> NoneType
- __new__(*args, **kwargs) from builtins.type
- Create and return a new object. See help(type) for accurate signature.
- gen_diversity_pool(...) from builtins.PyCapsule
- gen_diversity_pool(*args, **kwargs)
Overloaded function.
1. gen_diversity_pool(self : rosetta.protocols.abinitio.IterativeCentroid, batch : protocols::jd2::archive::Batch) -> NoneType
2. gen_diversity_pool(self : rosetta.protocols.abinitio.IterativeCentroid, batch : protocols::jd2::archive::Batch, fullatom : bool) -> NoneType
- restore_from_file(...) from builtins.PyCapsule
- restore_from_file(rosetta.protocols.abinitio.IterativeCentroid) -> bool
- save_to_file(...) from builtins.PyCapsule
- save_to_file(*args, **kwargs)
Overloaded function.
1. save_to_file(rosetta.protocols.abinitio.IterativeCentroid) -> NoneType
save and restore archive to file-system
2. save_to_file(self : rosetta.protocols.abinitio.IterativeCentroid, suffix : str) -> NoneType
save and restore archive to file-system
- update_noesy_filter_files(...) from builtins.PyCapsule
- update_noesy_filter_files(self : rosetta.protocols.abinitio.IterativeCentroid, current : str, fullatom : bool) -> NoneType
Methods inherited from IterativeBase:
- add_structure(...) from builtins.PyCapsule
- add_structure(self : rosetta.protocols.abinitio.IterativeBase, new_decoy : rosetta.core.io.silent.SilentStruct, alternative_decoy : rosetta.core.io.silent.SilentStruct, : protocols::jd2::archive::Batch) -> bool
overloaded to handel special convergence check 'pool_converged_rmsd'
add structure to Archive.. return false if structure is rejected.
- finished(...) from builtins.PyCapsule
- finished(rosetta.protocols.abinitio.IterativeBase) -> bool
archive is finished when at last stage
- gen_dynamic_patches(...) from builtins.PyCapsule
- gen_dynamic_patches(self : rosetta.protocols.abinitio.IterativeBase, batch : protocols::jd2::archive::Batch) -> NoneType
- gen_evaluation_output(...) from builtins.PyCapsule
- gen_evaluation_output(*args, **kwargs)
Overloaded function.
1. gen_evaluation_output(self : rosetta.protocols.abinitio.IterativeBase, batch : protocols::jd2::archive::Batch) -> NoneType
generate flags and stuff for the out-sourced evaluation ---> such that score_final column is returned for each decoy
note needs to be public, since IterativeCentroid calls this from IterativeFullatom to prepare evaluation for soon to be full-atom decoys
2. gen_evaluation_output(self : rosetta.protocols.abinitio.IterativeBase, batch : protocols::jd2::archive::Batch, fullatom : bool) -> NoneType
generate flags and stuff for the out-sourced evaluation ---> such that score_final column is returned for each decoy
note needs to be public, since IterativeCentroid calls this from IterativeFullatom to prepare evaluation for soon to be full-atom decoys
- generate_batch(...) from builtins.PyCapsule
- generate_batch(*args, **kwargs)
Overloaded function.
1. generate_batch(rosetta.protocols.abinitio.IterativeBase) -> NoneType
generate a new batch, use different recipe according to current stage
2. generate_batch(self : rosetta.protocols.abinitio.IterativeBase, : protocols::jd2::archive::Batch, repeat_id : int) -> int
- idle(...) from builtins.PyCapsule
- idle(rosetta.protocols.abinitio.IterativeBase) -> NoneType
while waiting for jobs to finish
- init_from_decoy_set(...) from builtins.PyCapsule
- init_from_decoy_set(self : rosetta.protocols.abinitio.IterativeBase, sfd : rosetta.core.io.silent.SilentFileData) -> NoneType
overloaded to make input decoys appear the same as decoys coming from batches
- initialize(...) from builtins.PyCapsule
- initialize(rosetta.protocols.abinitio.IterativeBase) -> NoneType
do initializing work that requires fully setup object here
- read_structures(...) from builtins.PyCapsule
- read_structures(self : rosetta.protocols.abinitio.IterativeBase, sfd : rosetta.core.io.silent.SilentFileData, alternative_decoys : rosetta.core.io.silent.SilentFileData, batch : protocols::jd2::archive::Batch) -> NoneType
overloaded so we can test for end of IterationStage after reading
- ready_for_batch(...) from builtins.PyCapsule
- ready_for_batch(rosetta.protocols.abinitio.IterativeBase) -> bool
we are always ready to generate a new batch
- register_options(...) from builtins.PyCapsule
- register_options(*args, **kwargs)
Overloaded function.
1. register_options() -> NoneType
2. register_options() -> NoneType
Archive specific options
3. register_options() -> NoneType
Archive specific options
4. register_options() -> NoneType
5. register_options() -> NoneType
6. register_options() -> NoneType
- rescore(...) from builtins.PyCapsule
- rescore(rosetta.protocols.abinitio.IterativeBase) -> NoneType
- set_finish_stage(...) from builtins.PyCapsule
- set_finish_stage(self : rosetta.protocols.abinitio.IterativeBase, setting : rosetta.protocols.abinitio.IterationStage) -> NoneType
where to stop ?
- setup_default_evaluators(...) from builtins.PyCapsule
- setup_default_evaluators(rosetta.protocols.abinitio.IterativeBase) -> NoneType
setup JumpNrEvaluator
- still_interested(...) from builtins.PyCapsule
- still_interested(self : rosetta.protocols.abinitio.IterativeBase, batch : protocols::jd2::archive::Batch) -> bool
we are not interested in batches that were generated in old stages
- test_for_stage_end(...) from builtins.PyCapsule
- test_for_stage_end(rosetta.protocols.abinitio.IterativeBase) -> NoneType
calls increment_stage() if appropriate
Data and other attributes inherited from IterativeBase:
- CEN2FULLATOM = IterationStage.LAST_CENTROID_START
- ENUMERATION = IterationStage.ENUMERATION
- FINISHED = IterationStage.FINISHED
- IterationStage = <class 'rosetta.protocols.abinitio.IterativeBase.IterationStage'>
- LAST_CENTROID_START = IterationStage.LAST_CENTROID_START
- NOESY_PHASEII_S2_RESAMPLING = IterationStage.NOESY_PHASEII_S2_RESAMPLING
- NOESY_PHASEII_TOPO = IterationStage.NOESY_PHASEII_TOPO
- PURE_TOPO_RESAMPLING = IterationStage.PURE_TOPO_RESAMPLING
- RIGID_CORE_RESAMPLING = IterationStage.RIGID_CORE_RESAMPLING
- STAGE2_RESAMPLING = IterationStage.STAGE2_RESAMPLING
- TOPO_RESAMPLING = IterationStage.TOPO_RESAMPLING
Methods inherited from rosetta.protocols.jd2.archive.NormalizedEvaluatedArchive:
- add_evaluated_structure(...) from builtins.PyCapsule
- add_evaluated_structure(self : rosetta.protocols.jd2.archive.NormalizedEvaluatedArchive, from_batch : rosetta.core.io.silent.SilentStruct, alternative_decoy : rosetta.core.io.silent.SilentStruct, : protocols::jd2::archive::Batch) -> bool
add decoy to Archive
evaluate decoy and call add_evaluated_structure
- assign(...) from builtins.PyCapsule
- assign(self : rosetta.protocols.jd2.archive.NormalizedEvaluatedArchive, : rosetta.protocols.jd2.archive.NormalizedEvaluatedArchive) -> rosetta.protocols.jd2.archive.NormalizedEvaluatedArchive
- determine_score_variations(...) from builtins.PyCapsule
- determine_score_variations(rosetta.protocols.jd2.archive.NormalizedEvaluatedArchive) -> bool
determine variation of scores (those that are non-zeros in select_weights_ )
- init_from_options(...) from builtins.PyCapsule
- init_from_options(rosetta.protocols.jd2.archive.NormalizedEvaluatedArchive) -> NoneType
- score_variation(...) from builtins.PyCapsule
- score_variation(self : rosetta.protocols.jd2.archive.NormalizedEvaluatedArchive, col : str) -> float
- score_variations(...) from builtins.PyCapsule
- score_variations(rosetta.protocols.jd2.archive.NormalizedEvaluatedArchive) -> rosetta.std.map_std_string_double
Methods inherited from rosetta.protocols.jd2.archive.EvaluatedArchive:
- add_evaluation(...) from builtins.PyCapsule
- add_evaluation(*args, **kwargs)
Overloaded function.
1. add_evaluation(self : rosetta.protocols.jd2.archive.EvaluatedArchive, : rosetta.protocols.evaluation.PoseEvaluator) -> NoneType
add new PoseEvaluation to set of evaluators, specify weight for contribution to select_score()
2. add_evaluation(self : rosetta.protocols.jd2.archive.EvaluatedArchive, : rosetta.protocols.evaluation.PoseEvaluator, weight : float) -> NoneType
add new PoseEvaluation to set of evaluators, specify weight for contribution to select_score()
- evaluate_local(...) from builtins.PyCapsule
- evaluate_local(rosetta.protocols.jd2.archive.EvaluatedArchive) -> bool
specify if decoys are evaluated on the master or (non-local i.e., on the individual slave nodes)
- evaluate_silent_struct(...) from builtins.PyCapsule
- evaluate_silent_struct(self : rosetta.protocols.jd2.archive.EvaluatedArchive, from_batch : rosetta.core.io.silent.SilentStruct) -> rosetta.core.io.silent.SilentStruct
yields an "evaluated" silent-struct which can be queried with select_score
will run scoring-process if evaluate_local() otherwise just returns the intpu-silent-struct
- evaluators(...) from builtins.PyCapsule
- evaluators(rosetta.protocols.jd2.archive.EvaluatedArchive) -> rosetta.std.map_std_string_std_shared_ptr_const_protocols_evaluation_PoseEvaluator_t
- get_weight(...) from builtins.PyCapsule
- get_weight(self : rosetta.protocols.jd2.archive.EvaluatedArchive, column : str) -> float
- has_evaluator(...) from builtins.PyCapsule
- has_evaluator(self : rosetta.protocols.jd2.archive.EvaluatedArchive, column : str) -> bool
is a certain elvaluator present ?
- remove_evaluation(...) from builtins.PyCapsule
- remove_evaluation(self : rosetta.protocols.jd2.archive.EvaluatedArchive, column : str) -> NoneType
remove Evaluator
- scorefxn(...) from builtins.PyCapsule
- scorefxn(rosetta.protocols.jd2.archive.EvaluatedArchive) -> rosetta.core.scoring.ScoreFunction
- select_score(...) from builtins.PyCapsule
- select_score(self : rosetta.protocols.jd2.archive.EvaluatedArchive, evaluated_decoy : rosetta.core.io.silent.SilentStruct) -> float
compute score according to select_weights --- this can contain any evaluator columns
- set_evaluate_local(...) from builtins.PyCapsule
- set_evaluate_local(self : rosetta.protocols.jd2.archive.EvaluatedArchive, setting : bool) -> NoneType
- set_evaluators(...) from builtins.PyCapsule
- set_evaluators(self : rosetta.protocols.jd2.archive.EvaluatedArchive, : rosetta.std.map_std_string_std_shared_ptr_const_protocols_evaluation_PoseEvaluator_t, : rosetta.std.map_std_string_double) -> NoneType
- set_scorefxn(...) from builtins.PyCapsule
- set_scorefxn(self : rosetta.protocols.jd2.archive.EvaluatedArchive, scorefxn_ : rosetta.core.scoring.ScoreFunction) -> NoneType
set scorefxn used for evaluation
- set_weight(...) from builtins.PyCapsule
- set_weight(self : rosetta.protocols.jd2.archive.EvaluatedArchive, column : str, weight : float) -> NoneType
set weight of an evaluator or a column otherwise present in silent-structs
(i.e, score, chainbreak, external evaluation like score_final )
- set_weights(...) from builtins.PyCapsule
- set_weights(self : rosetta.protocols.jd2.archive.EvaluatedArchive, setting : rosetta.std.map_std_string_double) -> NoneType
- start_evaluation_timer(...) from builtins.PyCapsule
- start_evaluation_timer(rosetta.protocols.jd2.archive.EvaluatedArchive) -> NoneType
- weights(...) from builtins.PyCapsule
- weights(rosetta.protocols.jd2.archive.EvaluatedArchive) -> rosetta.std.map_std_string_double
Methods inherited from rosetta.protocols.jd2.archive.ArchiveBase:
- accepts_since_last_batch(...) from builtins.PyCapsule
- accepts_since_last_batch(*args, **kwargs)
Overloaded function.
1. accepts_since_last_batch(rosetta.protocols.jd2.archive.ArchiveBase) -> int
---- methods to keep statistics of acceptance
2. accepts_since_last_batch(rosetta.protocols.jd2.archive.ArchiveBase) -> int
- current_acceptance_ratio(...) from builtins.PyCapsule
- current_acceptance_ratio(rosetta.protocols.jd2.archive.ArchiveBase) -> float
- decoys(...) from builtins.PyCapsule
- decoys(*args, **kwargs)
Overloaded function.
1. decoys(rosetta.protocols.jd2.archive.ArchiveBase) -> rosetta.std.list_std_shared_ptr_core_io_silent_SilentStruct_std_allocator_std_shared_ptr_core_io_silent_SilentStruct_t
2. decoys(rosetta.protocols.jd2.archive.ArchiveBase) -> rosetta.std.list_std_shared_ptr_core_io_silent_SilentStruct_std_allocator_std_shared_ptr_core_io_silent_SilentStruct_t
- load_decoys(...) from builtins.PyCapsule
- load_decoys(self : rosetta.protocols.jd2.archive.ArchiveBase, filename : str, decoys : rosetta.std.list_std_shared_ptr_core_io_silent_SilentStruct_std_allocator_std_shared_ptr_core_io_silent_SilentStruct_t) -> NoneType
- nstruct(...) from builtins.PyCapsule
- nstruct(rosetta.protocols.jd2.archive.ArchiveBase) -> int
how many structures should be in archive .. varies from decoys().size() in startup phase.
- proposed_since_last_batch(...) from builtins.PyCapsule
- proposed_since_last_batch(rosetta.protocols.jd2.archive.ArchiveBase) -> int
- reset_accept_counter(...) from builtins.PyCapsule
- reset_accept_counter(rosetta.protocols.jd2.archive.ArchiveBase) -> NoneType
- save_decoys(...) from builtins.PyCapsule
- save_decoys(self : rosetta.protocols.jd2.archive.ArchiveBase, dirname : str, name : str, decoys : rosetta.std.list_std_shared_ptr_core_io_silent_SilentStruct_std_allocator_std_shared_ptr_core_io_silent_SilentStruct_t) -> NoneType
helper routine to save decoys properly
- set_nstruct(...) from builtins.PyCapsule
- set_nstruct(self : rosetta.protocols.jd2.archive.ArchiveBase, set : int) -> NoneType
set target size of pool
- statistics_valid(...) from builtins.PyCapsule
- statistics_valid(rosetta.protocols.jd2.archive.ArchiveBase) -> bool
- total_accepts(...) from builtins.PyCapsule
- total_accepts(rosetta.protocols.jd2.archive.ArchiveBase) -> int
- total_proposed(...) from builtins.PyCapsule
- total_proposed(rosetta.protocols.jd2.archive.ArchiveBase) -> int
Methods inherited from rosetta.protocols.jd2.archive.AbstractArchiveBase:
- manager(...) from builtins.PyCapsule
- manager(rosetta.protocols.jd2.archive.AbstractArchiveBase) -> protocols::jd2::archive::BaseArchiveManager
access to the ArchiveManager (control of batches)
- name(...) from builtins.PyCapsule
- name(rosetta.protocols.jd2.archive.AbstractArchiveBase) -> str
- set_manager(...) from builtins.PyCapsule
- set_manager(self : rosetta.protocols.jd2.archive.AbstractArchiveBase, manager : protocols::jd2::archive::BaseArchiveManager) -> NoneType
- set_name(...) from builtins.PyCapsule
- set_name(self : rosetta.protocols.jd2.archive.AbstractArchiveBase, set : str) -> NoneType
set name of archive ( used also for save_to_file and restore_from_file )
|
class IterativeFullatom(IterativeBase) |
| |
- Method resolution order:
- IterativeFullatom
- IterativeBase
- rosetta.protocols.jd2.archive.NormalizedEvaluatedArchive
- rosetta.protocols.jd2.archive.EvaluatedArchive
- rosetta.protocols.jd2.archive.ArchiveBase
- rosetta.protocols.jd2.archive.AbstractArchiveBase
- builtins.object
Methods defined here:
- __init__(...) from builtins.PyCapsule
- __init__(*args, **kwargs)
Overloaded function.
1. __init__(handle) -> NoneType
2. __init__(handle, rosetta.protocols.abinitio.IterativeFullatom) -> NoneType
- __new__(*args, **kwargs) from builtins.type
- Create and return a new object. See help(type) for accurate signature.
- generate_batch(...) from builtins.PyCapsule
- generate_batch(*args, **kwargs)
Overloaded function.
1. generate_batch(rosetta.protocols.abinitio.IterativeFullatom) -> NoneType
2. generate_batch(self : rosetta.protocols.abinitio.IterativeFullatom, : protocols::jd2::archive::Batch, repeat_id : int) -> int
- initialize(...) from builtins.PyCapsule
- initialize(rosetta.protocols.abinitio.IterativeFullatom) -> NoneType
do initializing work that requires fully setup object here
- ready_for_batch(...) from builtins.PyCapsule
- ready_for_batch(rosetta.protocols.abinitio.IterativeFullatom) -> bool
- register_options(...) from builtins.PyCapsule
- register_options(*args, **kwargs)
Overloaded function.
1. register_options() -> NoneType
2. register_options() -> NoneType
Archive specific options
3. register_options() -> NoneType
Archive specific options
4. register_options() -> NoneType
5. register_options() -> NoneType
6. register_options() -> NoneType
Methods inherited from IterativeBase:
- add_structure(...) from builtins.PyCapsule
- add_structure(self : rosetta.protocols.abinitio.IterativeBase, new_decoy : rosetta.core.io.silent.SilentStruct, alternative_decoy : rosetta.core.io.silent.SilentStruct, : protocols::jd2::archive::Batch) -> bool
overloaded to handel special convergence check 'pool_converged_rmsd'
add structure to Archive.. return false if structure is rejected.
- finished(...) from builtins.PyCapsule
- finished(rosetta.protocols.abinitio.IterativeBase) -> bool
archive is finished when at last stage
- gen_diversity_pool(...) from builtins.PyCapsule
- gen_diversity_pool(*args, **kwargs)
Overloaded function.
1. gen_diversity_pool(self : rosetta.protocols.abinitio.IterativeBase, : protocols::jd2::archive::Batch) -> NoneType
2. gen_diversity_pool(self : rosetta.protocols.abinitio.IterativeBase, : protocols::jd2::archive::Batch, fullatom : bool) -> NoneType
- gen_dynamic_patches(...) from builtins.PyCapsule
- gen_dynamic_patches(self : rosetta.protocols.abinitio.IterativeBase, batch : protocols::jd2::archive::Batch) -> NoneType
- gen_evaluation_output(...) from builtins.PyCapsule
- gen_evaluation_output(*args, **kwargs)
Overloaded function.
1. gen_evaluation_output(self : rosetta.protocols.abinitio.IterativeBase, batch : protocols::jd2::archive::Batch) -> NoneType
generate flags and stuff for the out-sourced evaluation ---> such that score_final column is returned for each decoy
note needs to be public, since IterativeCentroid calls this from IterativeFullatom to prepare evaluation for soon to be full-atom decoys
2. gen_evaluation_output(self : rosetta.protocols.abinitio.IterativeBase, batch : protocols::jd2::archive::Batch, fullatom : bool) -> NoneType
generate flags and stuff for the out-sourced evaluation ---> such that score_final column is returned for each decoy
note needs to be public, since IterativeCentroid calls this from IterativeFullatom to prepare evaluation for soon to be full-atom decoys
- idle(...) from builtins.PyCapsule
- idle(rosetta.protocols.abinitio.IterativeBase) -> NoneType
while waiting for jobs to finish
- init_from_decoy_set(...) from builtins.PyCapsule
- init_from_decoy_set(self : rosetta.protocols.abinitio.IterativeBase, sfd : rosetta.core.io.silent.SilentFileData) -> NoneType
overloaded to make input decoys appear the same as decoys coming from batches
- read_structures(...) from builtins.PyCapsule
- read_structures(self : rosetta.protocols.abinitio.IterativeBase, sfd : rosetta.core.io.silent.SilentFileData, alternative_decoys : rosetta.core.io.silent.SilentFileData, batch : protocols::jd2::archive::Batch) -> NoneType
overloaded so we can test for end of IterationStage after reading
- rescore(...) from builtins.PyCapsule
- rescore(rosetta.protocols.abinitio.IterativeBase) -> NoneType
- set_finish_stage(...) from builtins.PyCapsule
- set_finish_stage(self : rosetta.protocols.abinitio.IterativeBase, setting : rosetta.protocols.abinitio.IterationStage) -> NoneType
where to stop ?
- setup_default_evaluators(...) from builtins.PyCapsule
- setup_default_evaluators(rosetta.protocols.abinitio.IterativeBase) -> NoneType
setup JumpNrEvaluator
- still_interested(...) from builtins.PyCapsule
- still_interested(self : rosetta.protocols.abinitio.IterativeBase, batch : protocols::jd2::archive::Batch) -> bool
we are not interested in batches that were generated in old stages
- test_for_stage_end(...) from builtins.PyCapsule
- test_for_stage_end(rosetta.protocols.abinitio.IterativeBase) -> NoneType
calls increment_stage() if appropriate
- update_noesy_filter_files(...) from builtins.PyCapsule
- update_noesy_filter_files(self : rosetta.protocols.abinitio.IterativeBase, current : str, fullatom : bool) -> NoneType
Data and other attributes inherited from IterativeBase:
- CEN2FULLATOM = IterationStage.LAST_CENTROID_START
- ENUMERATION = IterationStage.ENUMERATION
- FINISHED = IterationStage.FINISHED
- IterationStage = <class 'rosetta.protocols.abinitio.IterativeBase.IterationStage'>
- LAST_CENTROID_START = IterationStage.LAST_CENTROID_START
- NOESY_PHASEII_S2_RESAMPLING = IterationStage.NOESY_PHASEII_S2_RESAMPLING
- NOESY_PHASEII_TOPO = IterationStage.NOESY_PHASEII_TOPO
- PURE_TOPO_RESAMPLING = IterationStage.PURE_TOPO_RESAMPLING
- RIGID_CORE_RESAMPLING = IterationStage.RIGID_CORE_RESAMPLING
- STAGE2_RESAMPLING = IterationStage.STAGE2_RESAMPLING
- TOPO_RESAMPLING = IterationStage.TOPO_RESAMPLING
Methods inherited from rosetta.protocols.jd2.archive.NormalizedEvaluatedArchive:
- add_evaluated_structure(...) from builtins.PyCapsule
- add_evaluated_structure(self : rosetta.protocols.jd2.archive.NormalizedEvaluatedArchive, from_batch : rosetta.core.io.silent.SilentStruct, alternative_decoy : rosetta.core.io.silent.SilentStruct, : protocols::jd2::archive::Batch) -> bool
add decoy to Archive
evaluate decoy and call add_evaluated_structure
- assign(...) from builtins.PyCapsule
- assign(self : rosetta.protocols.jd2.archive.NormalizedEvaluatedArchive, : rosetta.protocols.jd2.archive.NormalizedEvaluatedArchive) -> rosetta.protocols.jd2.archive.NormalizedEvaluatedArchive
- determine_score_variations(...) from builtins.PyCapsule
- determine_score_variations(rosetta.protocols.jd2.archive.NormalizedEvaluatedArchive) -> bool
determine variation of scores (those that are non-zeros in select_weights_ )
- init_from_options(...) from builtins.PyCapsule
- init_from_options(rosetta.protocols.jd2.archive.NormalizedEvaluatedArchive) -> NoneType
- restore_from_file(...) from builtins.PyCapsule
- restore_from_file(rosetta.protocols.jd2.archive.NormalizedEvaluatedArchive) -> bool
overloaded that we can sort the pool after reading
- save_to_file(...) from builtins.PyCapsule
- save_to_file(*args, **kwargs)
Overloaded function.
1. save_to_file(rosetta.protocols.jd2.archive.NormalizedEvaluatedArchive) -> NoneType
overloaded to save / restore the variance_archive_
2. save_to_file(self : rosetta.protocols.jd2.archive.NormalizedEvaluatedArchive, suffix : str) -> NoneType
overloaded to save / restore the variance_archive_
- score_variation(...) from builtins.PyCapsule
- score_variation(self : rosetta.protocols.jd2.archive.NormalizedEvaluatedArchive, col : str) -> float
- score_variations(...) from builtins.PyCapsule
- score_variations(rosetta.protocols.jd2.archive.NormalizedEvaluatedArchive) -> rosetta.std.map_std_string_double
Methods inherited from rosetta.protocols.jd2.archive.EvaluatedArchive:
- add_evaluation(...) from builtins.PyCapsule
- add_evaluation(*args, **kwargs)
Overloaded function.
1. add_evaluation(self : rosetta.protocols.jd2.archive.EvaluatedArchive, : rosetta.protocols.evaluation.PoseEvaluator) -> NoneType
add new PoseEvaluation to set of evaluators, specify weight for contribution to select_score()
2. add_evaluation(self : rosetta.protocols.jd2.archive.EvaluatedArchive, : rosetta.protocols.evaluation.PoseEvaluator, weight : float) -> NoneType
add new PoseEvaluation to set of evaluators, specify weight for contribution to select_score()
- evaluate_local(...) from builtins.PyCapsule
- evaluate_local(rosetta.protocols.jd2.archive.EvaluatedArchive) -> bool
specify if decoys are evaluated on the master or (non-local i.e., on the individual slave nodes)
- evaluate_silent_struct(...) from builtins.PyCapsule
- evaluate_silent_struct(self : rosetta.protocols.jd2.archive.EvaluatedArchive, from_batch : rosetta.core.io.silent.SilentStruct) -> rosetta.core.io.silent.SilentStruct
yields an "evaluated" silent-struct which can be queried with select_score
will run scoring-process if evaluate_local() otherwise just returns the intpu-silent-struct
- evaluators(...) from builtins.PyCapsule
- evaluators(rosetta.protocols.jd2.archive.EvaluatedArchive) -> rosetta.std.map_std_string_std_shared_ptr_const_protocols_evaluation_PoseEvaluator_t
- get_weight(...) from builtins.PyCapsule
- get_weight(self : rosetta.protocols.jd2.archive.EvaluatedArchive, column : str) -> float
- has_evaluator(...) from builtins.PyCapsule
- has_evaluator(self : rosetta.protocols.jd2.archive.EvaluatedArchive, column : str) -> bool
is a certain elvaluator present ?
- remove_evaluation(...) from builtins.PyCapsule
- remove_evaluation(self : rosetta.protocols.jd2.archive.EvaluatedArchive, column : str) -> NoneType
remove Evaluator
- scorefxn(...) from builtins.PyCapsule
- scorefxn(rosetta.protocols.jd2.archive.EvaluatedArchive) -> rosetta.core.scoring.ScoreFunction
- select_score(...) from builtins.PyCapsule
- select_score(self : rosetta.protocols.jd2.archive.EvaluatedArchive, evaluated_decoy : rosetta.core.io.silent.SilentStruct) -> float
compute score according to select_weights --- this can contain any evaluator columns
- set_evaluate_local(...) from builtins.PyCapsule
- set_evaluate_local(self : rosetta.protocols.jd2.archive.EvaluatedArchive, setting : bool) -> NoneType
- set_evaluators(...) from builtins.PyCapsule
- set_evaluators(self : rosetta.protocols.jd2.archive.EvaluatedArchive, : rosetta.std.map_std_string_std_shared_ptr_const_protocols_evaluation_PoseEvaluator_t, : rosetta.std.map_std_string_double) -> NoneType
- set_scorefxn(...) from builtins.PyCapsule
- set_scorefxn(self : rosetta.protocols.jd2.archive.EvaluatedArchive, scorefxn_ : rosetta.core.scoring.ScoreFunction) -> NoneType
set scorefxn used for evaluation
- set_weight(...) from builtins.PyCapsule
- set_weight(self : rosetta.protocols.jd2.archive.EvaluatedArchive, column : str, weight : float) -> NoneType
set weight of an evaluator or a column otherwise present in silent-structs
(i.e, score, chainbreak, external evaluation like score_final )
- set_weights(...) from builtins.PyCapsule
- set_weights(self : rosetta.protocols.jd2.archive.EvaluatedArchive, setting : rosetta.std.map_std_string_double) -> NoneType
- start_evaluation_timer(...) from builtins.PyCapsule
- start_evaluation_timer(rosetta.protocols.jd2.archive.EvaluatedArchive) -> NoneType
- weights(...) from builtins.PyCapsule
- weights(rosetta.protocols.jd2.archive.EvaluatedArchive) -> rosetta.std.map_std_string_double
Methods inherited from rosetta.protocols.jd2.archive.ArchiveBase:
- accepts_since_last_batch(...) from builtins.PyCapsule
- accepts_since_last_batch(*args, **kwargs)
Overloaded function.
1. accepts_since_last_batch(rosetta.protocols.jd2.archive.ArchiveBase) -> int
---- methods to keep statistics of acceptance
2. accepts_since_last_batch(rosetta.protocols.jd2.archive.ArchiveBase) -> int
- current_acceptance_ratio(...) from builtins.PyCapsule
- current_acceptance_ratio(rosetta.protocols.jd2.archive.ArchiveBase) -> float
- decoys(...) from builtins.PyCapsule
- decoys(*args, **kwargs)
Overloaded function.
1. decoys(rosetta.protocols.jd2.archive.ArchiveBase) -> rosetta.std.list_std_shared_ptr_core_io_silent_SilentStruct_std_allocator_std_shared_ptr_core_io_silent_SilentStruct_t
2. decoys(rosetta.protocols.jd2.archive.ArchiveBase) -> rosetta.std.list_std_shared_ptr_core_io_silent_SilentStruct_std_allocator_std_shared_ptr_core_io_silent_SilentStruct_t
- load_decoys(...) from builtins.PyCapsule
- load_decoys(self : rosetta.protocols.jd2.archive.ArchiveBase, filename : str, decoys : rosetta.std.list_std_shared_ptr_core_io_silent_SilentStruct_std_allocator_std_shared_ptr_core_io_silent_SilentStruct_t) -> NoneType
- nstruct(...) from builtins.PyCapsule
- nstruct(rosetta.protocols.jd2.archive.ArchiveBase) -> int
how many structures should be in archive .. varies from decoys().size() in startup phase.
- proposed_since_last_batch(...) from builtins.PyCapsule
- proposed_since_last_batch(rosetta.protocols.jd2.archive.ArchiveBase) -> int
- reset_accept_counter(...) from builtins.PyCapsule
- reset_accept_counter(rosetta.protocols.jd2.archive.ArchiveBase) -> NoneType
- save_decoys(...) from builtins.PyCapsule
- save_decoys(self : rosetta.protocols.jd2.archive.ArchiveBase, dirname : str, name : str, decoys : rosetta.std.list_std_shared_ptr_core_io_silent_SilentStruct_std_allocator_std_shared_ptr_core_io_silent_SilentStruct_t) -> NoneType
helper routine to save decoys properly
- set_nstruct(...) from builtins.PyCapsule
- set_nstruct(self : rosetta.protocols.jd2.archive.ArchiveBase, set : int) -> NoneType
set target size of pool
- statistics_valid(...) from builtins.PyCapsule
- statistics_valid(rosetta.protocols.jd2.archive.ArchiveBase) -> bool
- total_accepts(...) from builtins.PyCapsule
- total_accepts(rosetta.protocols.jd2.archive.ArchiveBase) -> int
- total_proposed(...) from builtins.PyCapsule
- total_proposed(rosetta.protocols.jd2.archive.ArchiveBase) -> int
Methods inherited from rosetta.protocols.jd2.archive.AbstractArchiveBase:
- manager(...) from builtins.PyCapsule
- manager(rosetta.protocols.jd2.archive.AbstractArchiveBase) -> protocols::jd2::archive::BaseArchiveManager
access to the ArchiveManager (control of batches)
- name(...) from builtins.PyCapsule
- name(rosetta.protocols.jd2.archive.AbstractArchiveBase) -> str
- set_manager(...) from builtins.PyCapsule
- set_manager(self : rosetta.protocols.jd2.archive.AbstractArchiveBase, manager : protocols::jd2::archive::BaseArchiveManager) -> NoneType
- set_name(...) from builtins.PyCapsule
- set_name(self : rosetta.protocols.jd2.archive.AbstractArchiveBase, set : str) -> NoneType
set name of archive ( used also for save_to_file and restore_from_file )
|
class JumpingFoldConstraintsWrapper(KinematicAbinitio) |
| |
- Method resolution order:
- JumpingFoldConstraintsWrapper
- KinematicAbinitio
- FoldConstraints
- ClassicAbinitio
- Protocol
- rosetta.protocols.moves.Mover
- builtins.object
Methods defined here:
- __init__(...) from builtins.PyCapsule
- __init__(*args, **kwargs)
Overloaded function.
1. __init__(self : handle, brute_move_small : protocols::simple_moves::FragmentMover, brute_move_large : protocols::simple_moves::FragmentMover, smooth_move_small : protocols::simple_moves::FragmentMover, jump_def : rosetta.protocols.jumping.BaseJumpSetup, dummy : int) -> NoneType
2. __init__(self : handle, fragset3mer : rosetta.core.fragment.FragSet, fragset9mer : rosetta.core.fragment.FragSet, movemap : rosetta.core.kinematics.MoveMap, jump_def : rosetta.protocols.jumping.BaseJumpSetup) -> NoneType
3. __init__(handle, rosetta.protocols.abinitio.JumpingFoldConstraintsWrapper) -> NoneType
- __new__(*args, **kwargs) from builtins.type
- Create and return a new object. See help(type) for accurate signature.
- apply(...) from builtins.PyCapsule
- apply(self : rosetta.protocols.abinitio.JumpingFoldConstraintsWrapper, pose : rosetta.core.pose.Pose) -> NoneType
- clone(...) from builtins.PyCapsule
- clone(rosetta.protocols.abinitio.JumpingFoldConstraintsWrapper) -> rosetta.protocols.moves.Mover
- get_name(...) from builtins.PyCapsule
- get_name(rosetta.protocols.abinitio.JumpingFoldConstraintsWrapper) -> str
Methods inherited from KinematicAbinitio:
- closure_protocol(...) from builtins.PyCapsule
- closure_protocol(self : rosetta.protocols.abinitio.KinematicAbinitio, closure_protocol : rosetta.protocols.loops.loop_closure.ccd.SlidingWindowLoopClosure) -> NoneType
set the closure_protocol... if not set no closure...
- prepare_loop_in_stage3(...) from builtins.PyCapsule
- prepare_loop_in_stage3(self : rosetta.protocols.abinitio.KinematicAbinitio, : rosetta.core.pose.Pose, : int, : int) -> bool
- prepare_loop_in_stage4(...) from builtins.PyCapsule
- prepare_loop_in_stage4(self : rosetta.protocols.abinitio.KinematicAbinitio, : rosetta.core.pose.Pose, : int, : int) -> bool
- prepare_stage1(...) from builtins.PyCapsule
- prepare_stage1(self : rosetta.protocols.abinitio.KinematicAbinitio, pose : rosetta.core.pose.Pose) -> bool
- prepare_stage2(...) from builtins.PyCapsule
- prepare_stage2(self : rosetta.protocols.abinitio.KinematicAbinitio, pose : rosetta.core.pose.Pose) -> bool
- prepare_stage3(...) from builtins.PyCapsule
- prepare_stage3(self : rosetta.protocols.abinitio.KinematicAbinitio, pose : rosetta.core.pose.Pose) -> bool
- register_options(...) from builtins.PyCapsule
- register_options(*args, **kwargs)
Overloaded function.
1. register_options() -> NoneType
Overload this static method if you access options within the mover.
These options will end up in -help of your application if users of this mover call register_options.
Do this recursively!
If you use movers within your mover, call their register_options in your register_options() method.
2. register_options() -> NoneType
3. register_options() -> NoneType
4. register_options() -> NoneType
5. register_options() -> NoneType
6. register_options() -> NoneType
7. register_options() -> NoneType
8. register_options() -> NoneType
9. register_options() -> NoneType
Associates relevant options with the AntibodyModeler class
10. register_options() -> NoneType
Associates relevant options with the AntibodyModeler class
11. register_options() -> NoneType
Associates relevant options with the SnugDock class
12. register_options() -> NoneType
Associates relevant options with the SnugDockProtocol class
13. register_options() -> NoneType
Register the options used by this mover with the global options
system.
14. register_options() -> NoneType
15. register_options() -> NoneType
Associate relevant options with the TemperedDocking class.
16. register_options() -> NoneType
17. register_options() -> NoneType
18. register_options() -> NoneType
Associates relevant options with the TemperedDocking class.
19. register_options() -> NoneType
20. register_options() -> NoneType
Associates relevant options with the ConstraintSetMover class
21. register_options() -> NoneType
22. register_options() -> NoneType
Associates relevant options with the DockingInitialPerturbation class
23. register_options() -> NoneType
Associates relevant options with the DockingProtocol class
24. register_options() -> NoneType
Associates relevant options with the TemperedDocking class
25. register_options() -> NoneType
26. register_options() -> NoneType
27. register_options() -> NoneType
28. register_options() -> NoneType
register options
29. register_options() -> NoneType
30. register_options() -> NoneType
Registers applicable options
31. register_options() -> NoneType
Register options with the option system.
32. register_options() -> NoneType
33. register_options() -> NoneType
34. register_options() -> NoneType
Associates relevant options with the LoopRefineInnerCycle class
35. register_options() -> NoneType
Associates relevant options with the LoopRefineInnerCycleContainer class
36. register_options() -> NoneType
Associates relevant options with the LoopRefineInnerCycle class
37. register_options() -> NoneType
Associates relevant options with the LoopRefineInnerCycle class
38. register_options() -> NoneType
39. register_options() -> NoneType
Register options with the option system.
40. register_options() -> NoneType
- set_max_seq_sep(...) from builtins.PyCapsule
- set_max_seq_sep(self : rosetta.protocols.abinitio.KinematicAbinitio, pose : rosetta.core.pose.Pose, setting : int) -> NoneType
- stage1_mover(...) from builtins.PyCapsule
- stage1_mover(self : rosetta.protocols.abinitio.KinematicAbinitio, pose : rosetta.core.pose.Pose, trials_in : protocols::moves::TrialMover) -> protocols::moves::TrialMover
- stage2_mover(...) from builtins.PyCapsule
- stage2_mover(self : rosetta.protocols.abinitio.KinematicAbinitio, pose : rosetta.core.pose.Pose, trials_in : protocols::moves::TrialMover) -> protocols::moves::TrialMover
- stage3_mover(...) from builtins.PyCapsule
- stage3_mover(self : rosetta.protocols.abinitio.KinematicAbinitio, pose : rosetta.core.pose.Pose, lct1 : int, lct2 : int, trials_in : protocols::moves::TrialMover) -> protocols::moves::TrialMover
- stage4_mover(...) from builtins.PyCapsule
- stage4_mover(self : rosetta.protocols.abinitio.KinematicAbinitio, pose : rosetta.core.pose.Pose, kk : int, trials_in : protocols::moves::TrialMover) -> protocols::moves::TrialMover
Methods inherited from FoldConstraints:
- set_constraint_weight(...) from builtins.PyCapsule
- set_constraint_weight(self : rosetta.protocols.abinitio.FoldConstraints, setting : float) -> NoneType
- set_default_options(...) from builtins.PyCapsule
- set_default_options(rosetta.protocols.abinitio.FoldConstraints) -> NoneType
- set_default_scores(...) from builtins.PyCapsule
- set_default_scores(rosetta.protocols.abinitio.FoldConstraints) -> NoneType
sets the usual scores ( score0,score1, score2/5 etc. ) and additionally atom_pair_constraints to 1.0
- set_show_viol_level(...) from builtins.PyCapsule
- set_show_viol_level(self : rosetta.protocols.abinitio.FoldConstraints, setting : int) -> NoneType
Methods inherited from ClassicAbinitio:
- bQuickTest(...) from builtins.PyCapsule
- bQuickTest(rosetta.protocols.abinitio.ClassicAbinitio) -> bool
- brute_move_large(...) from builtins.PyCapsule
- brute_move_large(rosetta.protocols.abinitio.ClassicAbinitio) -> protocols::simple_moves::FragmentMover
- brute_move_small(...) from builtins.PyCapsule
- brute_move_small(rosetta.protocols.abinitio.ClassicAbinitio) -> protocols::simple_moves::FragmentMover
- init(...) from builtins.PyCapsule
- init(self : rosetta.protocols.abinitio.ClassicAbinitio, pose : rosetta.core.pose.Pose) -> NoneType
- just_smooth_cycles(...) from builtins.PyCapsule
- just_smooth_cycles(rosetta.protocols.abinitio.ClassicAbinitio) -> bool
- mc(...) from builtins.PyCapsule
- mc(*args, **kwargs)
Overloaded function.
1. mc(rosetta.protocols.abinitio.ClassicAbinitio) -> protocols::moves::MonteCarlo
2. mc(rosetta.protocols.abinitio.ClassicAbinitio) -> protocols::moves::MonteCarlo
- movemap(...) from builtins.PyCapsule
- movemap(rosetta.protocols.abinitio.ClassicAbinitio) -> rosetta.core.kinematics.MoveMap
- set_cycles(...) from builtins.PyCapsule
- set_cycles(*args, **kwargs)
Overloaded function.
1. set_cycles(rosetta.protocols.abinitio.ClassicAbinitio) -> NoneType
2. set_cycles(self : rosetta.protocols.abinitio.ClassicAbinitio, increase_cycles : float) -> NoneType
- set_mc(...) from builtins.PyCapsule
- set_mc(self : rosetta.protocols.abinitio.ClassicAbinitio, : protocols::moves::MonteCarlo) -> NoneType
- set_movemap(...) from builtins.PyCapsule
- set_movemap(self : rosetta.protocols.abinitio.ClassicAbinitio, mm : rosetta.core.kinematics.MoveMap) -> NoneType
- set_moves(...) from builtins.PyCapsule
- set_moves(self : rosetta.protocols.abinitio.ClassicAbinitio, brute_move_small : protocols::simple_moves::FragmentMover, brute_move_large : protocols::simple_moves::FragmentMover, smooth_move_small : protocols::simple_moves::FragmentMover) -> NoneType
- set_score_weight(...) from builtins.PyCapsule
- set_score_weight(*args, **kwargs)
Overloaded function.
1. set_score_weight(self : rosetta.protocols.abinitio.ClassicAbinitio, : rosetta.core.scoring.ScoreType, setting : float) -> NoneType
2. set_score_weight(self : rosetta.protocols.abinitio.ClassicAbinitio, : rosetta.core.scoring.ScoreType, setting : float, stage : rosetta.protocols.abinitio.StageID) -> NoneType
- set_skip_stage1(...) from builtins.PyCapsule
- set_skip_stage1(self : rosetta.protocols.abinitio.ClassicAbinitio, setting : bool) -> NoneType
- set_skip_stage2(...) from builtins.PyCapsule
- set_skip_stage2(self : rosetta.protocols.abinitio.ClassicAbinitio, setting : bool) -> NoneType
- set_stage4_cycles(...) from builtins.PyCapsule
- set_stage4_cycles(self : rosetta.protocols.abinitio.ClassicAbinitio, stage4_cycles_new : int) -> NoneType
- smooth_move_small(...) from builtins.PyCapsule
- smooth_move_small(rosetta.protocols.abinitio.ClassicAbinitio) -> protocols::simple_moves::FragmentMover
- stage1_cycles(...) from builtins.PyCapsule
- stage1_cycles(rosetta.protocols.abinitio.ClassicAbinitio) -> int
- stage2_cycles(...) from builtins.PyCapsule
- stage2_cycles(rosetta.protocols.abinitio.ClassicAbinitio) -> int
- stage3_cycles(...) from builtins.PyCapsule
- stage3_cycles(rosetta.protocols.abinitio.ClassicAbinitio) -> int
- stage4_cycles(...) from builtins.PyCapsule
- stage4_cycles(rosetta.protocols.abinitio.ClassicAbinitio) -> int
- stage5_cycles(...) from builtins.PyCapsule
- stage5_cycles(rosetta.protocols.abinitio.ClassicAbinitio) -> int
- total_trials(...) from builtins.PyCapsule
- total_trials(rosetta.protocols.abinitio.ClassicAbinitio) -> int
Data descriptors inherited from ClassicAbinitio:
- bSkipStage1_
- bSkipStage2_
- bSkipStage3_
- bSkipStage4_
- bSkipStage5_
- recover_low_stages_
Data and other attributes inherited from ClassicAbinitio:
- ALL_STAGES = StageID.ALL_STAGES
- STAGE_1 = StageID.STAGE_1
- STAGE_2 = StageID.STAGE_2
- STAGE_3a = StageID.STAGE_3a
- STAGE_3b = StageID.STAGE_3b
- STAGE_4 = StageID.STAGE_4
- STAGE_4rot = StageID.STAGE_4rot
- STAGE_5 = StageID.STAGE_5
- StageID = <class 'rosetta.protocols.abinitio.ClassicAbinitio.StageID'>
Methods inherited from Protocol:
- add_evaluation(...) from builtins.PyCapsule
- add_evaluation(self : rosetta.protocols.abinitio.Protocol, ev : rosetta.protocols.evaluation.PoseEvaluator) -> NoneType
- assign(...) from builtins.PyCapsule
- assign(self : rosetta.protocols.abinitio.Protocol, : rosetta.protocols.abinitio.Protocol) -> rosetta.protocols.abinitio.Protocol
- centroid_scorefxn(...) from builtins.PyCapsule
- centroid_scorefxn(rosetta.protocols.abinitio.Protocol) -> rosetta.core.scoring.ScoreFunction
- evaluate_pose(...) from builtins.PyCapsule
- evaluate_pose(self : rosetta.protocols.abinitio.Protocol, pose : rosetta.core.pose.Pose, tag : str, pss : rosetta.core.io.silent.SilentStruct) -> NoneType
- evaluator(...) from builtins.PyCapsule
- evaluator(rosetta.protocols.abinitio.Protocol) -> rosetta.protocols.evaluation.MetaPoseEvaluator
- fullatom_scorefxn(...) from builtins.PyCapsule
- fullatom_scorefxn(rosetta.protocols.abinitio.Protocol) -> rosetta.core.scoring.ScoreFunction
- get_checkpoints(...) from builtins.PyCapsule
- get_checkpoints(rosetta.protocols.abinitio.Protocol) -> rosetta.protocols.checkpoint.CheckPointer
- kinematics(...) from builtins.PyCapsule
- kinematics(rosetta.protocols.abinitio.Protocol) -> rosetta.protocols.abinitio.KinematicControl
- output_debug_structure(...) from builtins.PyCapsule
- output_debug_structure(self : rosetta.protocols.abinitio.Protocol, pose : rosetta.core.pose.Pose, prefix : str) -> NoneType
- return_centroid(...) from builtins.PyCapsule
- return_centroid(*args, **kwargs)
Overloaded function.
1. return_centroid(rosetta.protocols.abinitio.Protocol) -> bool
2. return_centroid(self : rosetta.protocols.abinitio.Protocol, setting : bool) -> NoneType
- set_centroid_scorefxn(...) from builtins.PyCapsule
- set_centroid_scorefxn(self : rosetta.protocols.abinitio.Protocol, sfxn : rosetta.core.scoring.ScoreFunction) -> NoneType
- set_evaluation(...) from builtins.PyCapsule
- set_evaluation(self : rosetta.protocols.abinitio.Protocol, ev : rosetta.protocols.evaluation.MetaPoseEvaluator) -> NoneType
- set_fullatom_scorefxn(...) from builtins.PyCapsule
- set_fullatom_scorefxn(self : rosetta.protocols.abinitio.Protocol, sfxn : rosetta.core.scoring.ScoreFunction) -> NoneType
- set_kinematics(...) from builtins.PyCapsule
- set_kinematics(self : rosetta.protocols.abinitio.Protocol, kc : rosetta.protocols.abinitio.KinematicControl) -> NoneType
- set_silentout_file_name(...) from builtins.PyCapsule
- set_silentout_file_name(self : rosetta.protocols.abinitio.Protocol, str : str) -> NoneType
- start_from_centroid(...) from builtins.PyCapsule
- start_from_centroid(rosetta.protocols.abinitio.Protocol) -> bool
Methods inherited from rosetta.protocols.moves.Mover:
- clear_info(...) from builtins.PyCapsule
- clear_info(rosetta.protocols.moves.Mover) -> NoneType
Strings container can be used to return miscellaneous info (as std::string) from a mover, such as notes about the results of apply(). The job distributor (Apr 09 vintage) will check this function to see if your protocol wants to add string info to the Job that ran this mover. One way this can be useful is that later, a JobOutputter may include/append this info to an output file.
clear_info is called by jd2 before calling apply
- create(...) from builtins.PyCapsule
- create(rosetta.protocols.moves.Mover) -> rosetta.protocols.moves.Mover
- fresh_instance(...) from builtins.PyCapsule
- fresh_instance(rosetta.protocols.moves.Mover) -> rosetta.protocols.moves.Mover
Generates a new Mover object freshly created with the default ctor.
- get_additional_output(...) from builtins.PyCapsule
- get_additional_output(rosetta.protocols.moves.Mover) -> rosetta.core.pose.Pose
fpd
Mechanism by which a mover may return multiple output poses from a single input pose.
- get_current_job(...) from builtins.PyCapsule
- get_current_job(rosetta.protocols.moves.Mover) -> protocols::jobdist::BasicJob
- get_current_tag(...) from builtins.PyCapsule
- get_current_tag(rosetta.protocols.moves.Mover) -> str
A tag is a unique identifier used to identify structures produced
by this Mover. get_current_tag() returns the tag, and set_current_tag( std::string tag )
sets the tag. This functionality is not intended for use with the 2008 job distributor.
- get_input_pose(...) from builtins.PyCapsule
- get_input_pose(rosetta.protocols.moves.Mover) -> rosetta.core.pose.Pose
- get_last_move_status(...) from builtins.PyCapsule
- get_last_move_status(rosetta.protocols.moves.Mover) -> rosetta.protocols.moves.MoverStatus
returns status after an apply(). The job distributor (august 08 vintage) will check this function to see if your protocol wants to filter its results - if your protocol wants to say "that run was no good, skip it" then use the protected last_move_status(MoverStatus) to change the value that this function will return.
- get_native_pose(...) from builtins.PyCapsule
- get_native_pose(rosetta.protocols.moves.Mover) -> rosetta.core.pose.Pose
- get_self_ptr(...) from builtins.PyCapsule
- get_self_ptr(*args, **kwargs)
Overloaded function.
1. get_self_ptr(rosetta.protocols.moves.Mover) -> rosetta.protocols.moves.Mover
2. get_self_ptr(rosetta.protocols.moves.Mover) -> rosetta.protocols.moves.Mover
- get_self_weak_ptr(...) from builtins.PyCapsule
- get_self_weak_ptr(*args, **kwargs)
Overloaded function.
1. get_self_weak_ptr(rosetta.protocols.moves.Mover) -> rosetta.std.weak_ptr_const_protocols_moves_Mover_t
2. get_self_weak_ptr(rosetta.protocols.moves.Mover) -> rosetta.std.weak_ptr_protocols_moves_Mover_t
- get_type(...) from builtins.PyCapsule
- get_type(rosetta.protocols.moves.Mover) -> str
- info(...) from builtins.PyCapsule
- info(*args, **kwargs)
Overloaded function.
1. info(rosetta.protocols.moves.Mover) -> rosetta.std.list_std_string_std_allocator_std_string_t
non-const accessor
2. info(rosetta.protocols.moves.Mover) -> rosetta.std.list_std_string_std_allocator_std_string_t
const accessor
- last_proposal_density_ratio(...) from builtins.PyCapsule
- last_proposal_density_ratio(rosetta.protocols.moves.Mover) -> float
- name(...) from builtins.PyCapsule
- name() -> str
- reinitialize_for_each_job(...) from builtins.PyCapsule
- reinitialize_for_each_job(rosetta.protocols.moves.Mover) -> bool
Inform the Job Distributor (August '08 vintage) whether this object needs to be freshly regenerated on
each use.
- reinitialize_for_new_input(...) from builtins.PyCapsule
- reinitialize_for_new_input(rosetta.protocols.moves.Mover) -> bool
Inform the Job Distributor (August '08 vintage) whether this object needs to be regenerated when the input
pose is about to change, (for example, if the Mover has special code on the first apply() that is only valid for
that one input pose).
- reset_status(...) from builtins.PyCapsule
- reset_status(rosetta.protocols.moves.Mover) -> NoneType
resets status to SUCCESS, meant to be used before an apply(). The job distributor (august 08 vintage) uses this to ensure non-accumulation of status across apply()s.
- set_current_job(...) from builtins.PyCapsule
- set_current_job(self : rosetta.protocols.moves.Mover, job : protocols::jobdist::BasicJob) -> NoneType
////////////////////////////end Job Distributor interface////////////////////////////////////////
- set_current_tag(...) from builtins.PyCapsule
- set_current_tag(self : rosetta.protocols.moves.Mover, new_tag : str) -> NoneType
- set_input_pose(...) from builtins.PyCapsule
- set_input_pose(self : rosetta.protocols.moves.Mover, pose : rosetta.core.pose.Pose) -> NoneType
setter for poses contained for rms
- set_native_pose(...) from builtins.PyCapsule
- set_native_pose(self : rosetta.protocols.moves.Mover, pose : rosetta.core.pose.Pose) -> NoneType
setter for native poses contained for rms ---- we should get rid of this method? it is widely used, but a bit unsafe
- set_type(...) from builtins.PyCapsule
- set_type(self : rosetta.protocols.moves.Mover, setting : str) -> NoneType
- test_move(...) from builtins.PyCapsule
- test_move(self : rosetta.protocols.moves.Mover, pose : rosetta.core.pose.Pose) -> NoneType
: Unit test support function. Apply one move to a given pose.
Allows extra test specific functions to be called before applying
- type(...) from builtins.PyCapsule
- type(*args, **kwargs)
Overloaded function.
1. type(rosetta.protocols.moves.Mover) -> str
2. type(self : rosetta.protocols.moves.Mover, type_in : str) -> NoneType
|
class KinematicAbinitio(FoldConstraints) |
| |
- Method resolution order:
- KinematicAbinitio
- FoldConstraints
- ClassicAbinitio
- Protocol
- rosetta.protocols.moves.Mover
- builtins.object
Methods defined here:
- __init__(...) from builtins.PyCapsule
- __init__(*args, **kwargs)
Overloaded function.
1. __init__(self : handle, brute_move_small : protocols::simple_moves::FragmentMover, brute_move_large : protocols::simple_moves::FragmentMover, smooth_move_small : protocols::simple_moves::FragmentMover, dummy : int) -> NoneType
2. __init__(self : handle, fragset3mer : rosetta.core.fragment.FragSet, fragset9mer : rosetta.core.fragment.FragSet, movemap : rosetta.core.kinematics.MoveMap) -> NoneType
3. __init__(handle, rosetta.protocols.abinitio.KinematicAbinitio) -> NoneType
- __new__(*args, **kwargs) from builtins.type
- Create and return a new object. See help(type) for accurate signature.
- apply(...) from builtins.PyCapsule
- apply(self : rosetta.protocols.abinitio.KinematicAbinitio, pose : rosetta.core.pose.Pose) -> NoneType
- clone(...) from builtins.PyCapsule
- clone(rosetta.protocols.abinitio.KinematicAbinitio) -> rosetta.protocols.moves.Mover
- closure_protocol(...) from builtins.PyCapsule
- closure_protocol(self : rosetta.protocols.abinitio.KinematicAbinitio, closure_protocol : rosetta.protocols.loops.loop_closure.ccd.SlidingWindowLoopClosure) -> NoneType
set the closure_protocol... if not set no closure...
- get_name(...) from builtins.PyCapsule
- get_name(rosetta.protocols.abinitio.KinematicAbinitio) -> str
- prepare_loop_in_stage3(...) from builtins.PyCapsule
- prepare_loop_in_stage3(self : rosetta.protocols.abinitio.KinematicAbinitio, : rosetta.core.pose.Pose, : int, : int) -> bool
- prepare_loop_in_stage4(...) from builtins.PyCapsule
- prepare_loop_in_stage4(self : rosetta.protocols.abinitio.KinematicAbinitio, : rosetta.core.pose.Pose, : int, : int) -> bool
- prepare_stage1(...) from builtins.PyCapsule
- prepare_stage1(self : rosetta.protocols.abinitio.KinematicAbinitio, pose : rosetta.core.pose.Pose) -> bool
- prepare_stage2(...) from builtins.PyCapsule
- prepare_stage2(self : rosetta.protocols.abinitio.KinematicAbinitio, pose : rosetta.core.pose.Pose) -> bool
- prepare_stage3(...) from builtins.PyCapsule
- prepare_stage3(self : rosetta.protocols.abinitio.KinematicAbinitio, pose : rosetta.core.pose.Pose) -> bool
- register_options(...) from builtins.PyCapsule
- register_options(*args, **kwargs)
Overloaded function.
1. register_options() -> NoneType
Overload this static method if you access options within the mover.
These options will end up in -help of your application if users of this mover call register_options.
Do this recursively!
If you use movers within your mover, call their register_options in your register_options() method.
2. register_options() -> NoneType
3. register_options() -> NoneType
4. register_options() -> NoneType
5. register_options() -> NoneType
6. register_options() -> NoneType
7. register_options() -> NoneType
8. register_options() -> NoneType
9. register_options() -> NoneType
Associates relevant options with the AntibodyModeler class
10. register_options() -> NoneType
Associates relevant options with the AntibodyModeler class
11. register_options() -> NoneType
Associates relevant options with the SnugDock class
12. register_options() -> NoneType
Associates relevant options with the SnugDockProtocol class
13. register_options() -> NoneType
Register the options used by this mover with the global options
system.
14. register_options() -> NoneType
15. register_options() -> NoneType
Associate relevant options with the TemperedDocking class.
16. register_options() -> NoneType
17. register_options() -> NoneType
18. register_options() -> NoneType
Associates relevant options with the TemperedDocking class.
19. register_options() -> NoneType
20. register_options() -> NoneType
Associates relevant options with the ConstraintSetMover class
21. register_options() -> NoneType
22. register_options() -> NoneType
Associates relevant options with the DockingInitialPerturbation class
23. register_options() -> NoneType
Associates relevant options with the DockingProtocol class
24. register_options() -> NoneType
Associates relevant options with the TemperedDocking class
25. register_options() -> NoneType
26. register_options() -> NoneType
27. register_options() -> NoneType
28. register_options() -> NoneType
register options
29. register_options() -> NoneType
30. register_options() -> NoneType
Registers applicable options
31. register_options() -> NoneType
Register options with the option system.
32. register_options() -> NoneType
33. register_options() -> NoneType
34. register_options() -> NoneType
Associates relevant options with the LoopRefineInnerCycle class
35. register_options() -> NoneType
Associates relevant options with the LoopRefineInnerCycleContainer class
36. register_options() -> NoneType
Associates relevant options with the LoopRefineInnerCycle class
37. register_options() -> NoneType
Associates relevant options with the LoopRefineInnerCycle class
38. register_options() -> NoneType
39. register_options() -> NoneType
Register options with the option system.
40. register_options() -> NoneType
- set_max_seq_sep(...) from builtins.PyCapsule
- set_max_seq_sep(self : rosetta.protocols.abinitio.KinematicAbinitio, pose : rosetta.core.pose.Pose, setting : int) -> NoneType
- stage1_mover(...) from builtins.PyCapsule
- stage1_mover(self : rosetta.protocols.abinitio.KinematicAbinitio, pose : rosetta.core.pose.Pose, trials_in : protocols::moves::TrialMover) -> protocols::moves::TrialMover
- stage2_mover(...) from builtins.PyCapsule
- stage2_mover(self : rosetta.protocols.abinitio.KinematicAbinitio, pose : rosetta.core.pose.Pose, trials_in : protocols::moves::TrialMover) -> protocols::moves::TrialMover
- stage3_mover(...) from builtins.PyCapsule
- stage3_mover(self : rosetta.protocols.abinitio.KinematicAbinitio, pose : rosetta.core.pose.Pose, lct1 : int, lct2 : int, trials_in : protocols::moves::TrialMover) -> protocols::moves::TrialMover
- stage4_mover(...) from builtins.PyCapsule
- stage4_mover(self : rosetta.protocols.abinitio.KinematicAbinitio, pose : rosetta.core.pose.Pose, kk : int, trials_in : protocols::moves::TrialMover) -> protocols::moves::TrialMover
Methods inherited from FoldConstraints:
- set_constraint_weight(...) from builtins.PyCapsule
- set_constraint_weight(self : rosetta.protocols.abinitio.FoldConstraints, setting : float) -> NoneType
- set_default_options(...) from builtins.PyCapsule
- set_default_options(rosetta.protocols.abinitio.FoldConstraints) -> NoneType
- set_default_scores(...) from builtins.PyCapsule
- set_default_scores(rosetta.protocols.abinitio.FoldConstraints) -> NoneType
sets the usual scores ( score0,score1, score2/5 etc. ) and additionally atom_pair_constraints to 1.0
- set_show_viol_level(...) from builtins.PyCapsule
- set_show_viol_level(self : rosetta.protocols.abinitio.FoldConstraints, setting : int) -> NoneType
Methods inherited from ClassicAbinitio:
- bQuickTest(...) from builtins.PyCapsule
- bQuickTest(rosetta.protocols.abinitio.ClassicAbinitio) -> bool
- brute_move_large(...) from builtins.PyCapsule
- brute_move_large(rosetta.protocols.abinitio.ClassicAbinitio) -> protocols::simple_moves::FragmentMover
- brute_move_small(...) from builtins.PyCapsule
- brute_move_small(rosetta.protocols.abinitio.ClassicAbinitio) -> protocols::simple_moves::FragmentMover
- init(...) from builtins.PyCapsule
- init(self : rosetta.protocols.abinitio.ClassicAbinitio, pose : rosetta.core.pose.Pose) -> NoneType
- just_smooth_cycles(...) from builtins.PyCapsule
- just_smooth_cycles(rosetta.protocols.abinitio.ClassicAbinitio) -> bool
- mc(...) from builtins.PyCapsule
- mc(*args, **kwargs)
Overloaded function.
1. mc(rosetta.protocols.abinitio.ClassicAbinitio) -> protocols::moves::MonteCarlo
2. mc(rosetta.protocols.abinitio.ClassicAbinitio) -> protocols::moves::MonteCarlo
- movemap(...) from builtins.PyCapsule
- movemap(rosetta.protocols.abinitio.ClassicAbinitio) -> rosetta.core.kinematics.MoveMap
- set_cycles(...) from builtins.PyCapsule
- set_cycles(*args, **kwargs)
Overloaded function.
1. set_cycles(rosetta.protocols.abinitio.ClassicAbinitio) -> NoneType
2. set_cycles(self : rosetta.protocols.abinitio.ClassicAbinitio, increase_cycles : float) -> NoneType
- set_mc(...) from builtins.PyCapsule
- set_mc(self : rosetta.protocols.abinitio.ClassicAbinitio, : protocols::moves::MonteCarlo) -> NoneType
- set_movemap(...) from builtins.PyCapsule
- set_movemap(self : rosetta.protocols.abinitio.ClassicAbinitio, mm : rosetta.core.kinematics.MoveMap) -> NoneType
- set_moves(...) from builtins.PyCapsule
- set_moves(self : rosetta.protocols.abinitio.ClassicAbinitio, brute_move_small : protocols::simple_moves::FragmentMover, brute_move_large : protocols::simple_moves::FragmentMover, smooth_move_small : protocols::simple_moves::FragmentMover) -> NoneType
- set_score_weight(...) from builtins.PyCapsule
- set_score_weight(*args, **kwargs)
Overloaded function.
1. set_score_weight(self : rosetta.protocols.abinitio.ClassicAbinitio, : rosetta.core.scoring.ScoreType, setting : float) -> NoneType
2. set_score_weight(self : rosetta.protocols.abinitio.ClassicAbinitio, : rosetta.core.scoring.ScoreType, setting : float, stage : rosetta.protocols.abinitio.StageID) -> NoneType
- set_skip_stage1(...) from builtins.PyCapsule
- set_skip_stage1(self : rosetta.protocols.abinitio.ClassicAbinitio, setting : bool) -> NoneType
- set_skip_stage2(...) from builtins.PyCapsule
- set_skip_stage2(self : rosetta.protocols.abinitio.ClassicAbinitio, setting : bool) -> NoneType
- set_stage4_cycles(...) from builtins.PyCapsule
- set_stage4_cycles(self : rosetta.protocols.abinitio.ClassicAbinitio, stage4_cycles_new : int) -> NoneType
- smooth_move_small(...) from builtins.PyCapsule
- smooth_move_small(rosetta.protocols.abinitio.ClassicAbinitio) -> protocols::simple_moves::FragmentMover
- stage1_cycles(...) from builtins.PyCapsule
- stage1_cycles(rosetta.protocols.abinitio.ClassicAbinitio) -> int
- stage2_cycles(...) from builtins.PyCapsule
- stage2_cycles(rosetta.protocols.abinitio.ClassicAbinitio) -> int
- stage3_cycles(...) from builtins.PyCapsule
- stage3_cycles(rosetta.protocols.abinitio.ClassicAbinitio) -> int
- stage4_cycles(...) from builtins.PyCapsule
- stage4_cycles(rosetta.protocols.abinitio.ClassicAbinitio) -> int
- stage5_cycles(...) from builtins.PyCapsule
- stage5_cycles(rosetta.protocols.abinitio.ClassicAbinitio) -> int
- total_trials(...) from builtins.PyCapsule
- total_trials(rosetta.protocols.abinitio.ClassicAbinitio) -> int
Data descriptors inherited from ClassicAbinitio:
- bSkipStage1_
- bSkipStage2_
- bSkipStage3_
- bSkipStage4_
- bSkipStage5_
- recover_low_stages_
Data and other attributes inherited from ClassicAbinitio:
- ALL_STAGES = StageID.ALL_STAGES
- STAGE_1 = StageID.STAGE_1
- STAGE_2 = StageID.STAGE_2
- STAGE_3a = StageID.STAGE_3a
- STAGE_3b = StageID.STAGE_3b
- STAGE_4 = StageID.STAGE_4
- STAGE_4rot = StageID.STAGE_4rot
- STAGE_5 = StageID.STAGE_5
- StageID = <class 'rosetta.protocols.abinitio.ClassicAbinitio.StageID'>
Methods inherited from Protocol:
- add_evaluation(...) from builtins.PyCapsule
- add_evaluation(self : rosetta.protocols.abinitio.Protocol, ev : rosetta.protocols.evaluation.PoseEvaluator) -> NoneType
- assign(...) from builtins.PyCapsule
- assign(self : rosetta.protocols.abinitio.Protocol, : rosetta.protocols.abinitio.Protocol) -> rosetta.protocols.abinitio.Protocol
- centroid_scorefxn(...) from builtins.PyCapsule
- centroid_scorefxn(rosetta.protocols.abinitio.Protocol) -> rosetta.core.scoring.ScoreFunction
- evaluate_pose(...) from builtins.PyCapsule
- evaluate_pose(self : rosetta.protocols.abinitio.Protocol, pose : rosetta.core.pose.Pose, tag : str, pss : rosetta.core.io.silent.SilentStruct) -> NoneType
- evaluator(...) from builtins.PyCapsule
- evaluator(rosetta.protocols.abinitio.Protocol) -> rosetta.protocols.evaluation.MetaPoseEvaluator
- fullatom_scorefxn(...) from builtins.PyCapsule
- fullatom_scorefxn(rosetta.protocols.abinitio.Protocol) -> rosetta.core.scoring.ScoreFunction
- get_checkpoints(...) from builtins.PyCapsule
- get_checkpoints(rosetta.protocols.abinitio.Protocol) -> rosetta.protocols.checkpoint.CheckPointer
- kinematics(...) from builtins.PyCapsule
- kinematics(rosetta.protocols.abinitio.Protocol) -> rosetta.protocols.abinitio.KinematicControl
- output_debug_structure(...) from builtins.PyCapsule
- output_debug_structure(self : rosetta.protocols.abinitio.Protocol, pose : rosetta.core.pose.Pose, prefix : str) -> NoneType
- return_centroid(...) from builtins.PyCapsule
- return_centroid(*args, **kwargs)
Overloaded function.
1. return_centroid(rosetta.protocols.abinitio.Protocol) -> bool
2. return_centroid(self : rosetta.protocols.abinitio.Protocol, setting : bool) -> NoneType
- set_centroid_scorefxn(...) from builtins.PyCapsule
- set_centroid_scorefxn(self : rosetta.protocols.abinitio.Protocol, sfxn : rosetta.core.scoring.ScoreFunction) -> NoneType
- set_evaluation(...) from builtins.PyCapsule
- set_evaluation(self : rosetta.protocols.abinitio.Protocol, ev : rosetta.protocols.evaluation.MetaPoseEvaluator) -> NoneType
- set_fullatom_scorefxn(...) from builtins.PyCapsule
- set_fullatom_scorefxn(self : rosetta.protocols.abinitio.Protocol, sfxn : rosetta.core.scoring.ScoreFunction) -> NoneType
- set_kinematics(...) from builtins.PyCapsule
- set_kinematics(self : rosetta.protocols.abinitio.Protocol, kc : rosetta.protocols.abinitio.KinematicControl) -> NoneType
- set_silentout_file_name(...) from builtins.PyCapsule
- set_silentout_file_name(self : rosetta.protocols.abinitio.Protocol, str : str) -> NoneType
- start_from_centroid(...) from builtins.PyCapsule
- start_from_centroid(rosetta.protocols.abinitio.Protocol) -> bool
Methods inherited from rosetta.protocols.moves.Mover:
- clear_info(...) from builtins.PyCapsule
- clear_info(rosetta.protocols.moves.Mover) -> NoneType
Strings container can be used to return miscellaneous info (as std::string) from a mover, such as notes about the results of apply(). The job distributor (Apr 09 vintage) will check this function to see if your protocol wants to add string info to the Job that ran this mover. One way this can be useful is that later, a JobOutputter may include/append this info to an output file.
clear_info is called by jd2 before calling apply
- create(...) from builtins.PyCapsule
- create(rosetta.protocols.moves.Mover) -> rosetta.protocols.moves.Mover
- fresh_instance(...) from builtins.PyCapsule
- fresh_instance(rosetta.protocols.moves.Mover) -> rosetta.protocols.moves.Mover
Generates a new Mover object freshly created with the default ctor.
- get_additional_output(...) from builtins.PyCapsule
- get_additional_output(rosetta.protocols.moves.Mover) -> rosetta.core.pose.Pose
fpd
Mechanism by which a mover may return multiple output poses from a single input pose.
- get_current_job(...) from builtins.PyCapsule
- get_current_job(rosetta.protocols.moves.Mover) -> protocols::jobdist::BasicJob
- get_current_tag(...) from builtins.PyCapsule
- get_current_tag(rosetta.protocols.moves.Mover) -> str
A tag is a unique identifier used to identify structures produced
by this Mover. get_current_tag() returns the tag, and set_current_tag( std::string tag )
sets the tag. This functionality is not intended for use with the 2008 job distributor.
- get_input_pose(...) from builtins.PyCapsule
- get_input_pose(rosetta.protocols.moves.Mover) -> rosetta.core.pose.Pose
- get_last_move_status(...) from builtins.PyCapsule
- get_last_move_status(rosetta.protocols.moves.Mover) -> rosetta.protocols.moves.MoverStatus
returns status after an apply(). The job distributor (august 08 vintage) will check this function to see if your protocol wants to filter its results - if your protocol wants to say "that run was no good, skip it" then use the protected last_move_status(MoverStatus) to change the value that this function will return.
- get_native_pose(...) from builtins.PyCapsule
- get_native_pose(rosetta.protocols.moves.Mover) -> rosetta.core.pose.Pose
- get_self_ptr(...) from builtins.PyCapsule
- get_self_ptr(*args, **kwargs)
Overloaded function.
1. get_self_ptr(rosetta.protocols.moves.Mover) -> rosetta.protocols.moves.Mover
2. get_self_ptr(rosetta.protocols.moves.Mover) -> rosetta.protocols.moves.Mover
- get_self_weak_ptr(...) from builtins.PyCapsule
- get_self_weak_ptr(*args, **kwargs)
Overloaded function.
1. get_self_weak_ptr(rosetta.protocols.moves.Mover) -> rosetta.std.weak_ptr_const_protocols_moves_Mover_t
2. get_self_weak_ptr(rosetta.protocols.moves.Mover) -> rosetta.std.weak_ptr_protocols_moves_Mover_t
- get_type(...) from builtins.PyCapsule
- get_type(rosetta.protocols.moves.Mover) -> str
- info(...) from builtins.PyCapsule
- info(*args, **kwargs)
Overloaded function.
1. info(rosetta.protocols.moves.Mover) -> rosetta.std.list_std_string_std_allocator_std_string_t
non-const accessor
2. info(rosetta.protocols.moves.Mover) -> rosetta.std.list_std_string_std_allocator_std_string_t
const accessor
- last_proposal_density_ratio(...) from builtins.PyCapsule
- last_proposal_density_ratio(rosetta.protocols.moves.Mover) -> float
- name(...) from builtins.PyCapsule
- name() -> str
- reinitialize_for_each_job(...) from builtins.PyCapsule
- reinitialize_for_each_job(rosetta.protocols.moves.Mover) -> bool
Inform the Job Distributor (August '08 vintage) whether this object needs to be freshly regenerated on
each use.
- reinitialize_for_new_input(...) from builtins.PyCapsule
- reinitialize_for_new_input(rosetta.protocols.moves.Mover) -> bool
Inform the Job Distributor (August '08 vintage) whether this object needs to be regenerated when the input
pose is about to change, (for example, if the Mover has special code on the first apply() that is only valid for
that one input pose).
- reset_status(...) from builtins.PyCapsule
- reset_status(rosetta.protocols.moves.Mover) -> NoneType
resets status to SUCCESS, meant to be used before an apply(). The job distributor (august 08 vintage) uses this to ensure non-accumulation of status across apply()s.
- set_current_job(...) from builtins.PyCapsule
- set_current_job(self : rosetta.protocols.moves.Mover, job : protocols::jobdist::BasicJob) -> NoneType
////////////////////////////end Job Distributor interface////////////////////////////////////////
- set_current_tag(...) from builtins.PyCapsule
- set_current_tag(self : rosetta.protocols.moves.Mover, new_tag : str) -> NoneType
- set_input_pose(...) from builtins.PyCapsule
- set_input_pose(self : rosetta.protocols.moves.Mover, pose : rosetta.core.pose.Pose) -> NoneType
setter for poses contained for rms
- set_native_pose(...) from builtins.PyCapsule
- set_native_pose(self : rosetta.protocols.moves.Mover, pose : rosetta.core.pose.Pose) -> NoneType
setter for native poses contained for rms ---- we should get rid of this method? it is widely used, but a bit unsafe
- set_type(...) from builtins.PyCapsule
- set_type(self : rosetta.protocols.moves.Mover, setting : str) -> NoneType
- test_move(...) from builtins.PyCapsule
- test_move(self : rosetta.protocols.moves.Mover, pose : rosetta.core.pose.Pose) -> NoneType
: Unit test support function. Apply one move to a given pose.
Allows extra test specific functions to be called before applying
- type(...) from builtins.PyCapsule
- type(*args, **kwargs)
Overloaded function.
1. type(rosetta.protocols.moves.Mover) -> str
2. type(self : rosetta.protocols.moves.Mover, type_in : str) -> NoneType
|
class KinematicControl(builtins.object) |
| |
Methods defined here:
- __init__(...) from builtins.PyCapsule
- __init__(*args, **kwargs)
Overloaded function.
1. __init__(handle) -> NoneType
2. __init__(handle, rosetta.protocols.abinitio.KinematicControl) -> NoneType
- __new__(*args, **kwargs) from builtins.type
- Create and return a new object. See help(type) for accurate signature.
- add_chainbreak_variants(...) from builtins.PyCapsule
- add_chainbreak_variants(*args, **kwargs)
Overloaded function.
1. add_chainbreak_variants(self : rosetta.protocols.abinitio.KinematicControl, pose : rosetta.core.pose.Pose) -> NoneType
2. add_chainbreak_variants(self : rosetta.protocols.abinitio.KinematicControl, pose : rosetta.core.pose.Pose, max_dist : int, : rosetta.core.kinematics.ShortestPathInFoldTree) -> NoneType
- add_score_weights(...) from builtins.PyCapsule
- add_score_weights(self : rosetta.protocols.abinitio.KinematicControl, : rosetta.core.scoring.ScoreFunction, : float) -> NoneType
- assign(...) from builtins.PyCapsule
- assign(self : rosetta.protocols.abinitio.KinematicControl, : rosetta.protocols.abinitio.KinematicControl) -> rosetta.protocols.abinitio.KinematicControl
- final_fold_tree(...) from builtins.PyCapsule
- final_fold_tree(rosetta.protocols.abinitio.KinematicControl) -> rosetta.core.kinematics.FoldTree
- jump_mover(...) from builtins.PyCapsule
- jump_mover(rosetta.protocols.abinitio.KinematicControl) -> protocols::simple_moves::FragmentMover
- movemap(...) from builtins.PyCapsule
- movemap(rosetta.protocols.abinitio.KinematicControl) -> rosetta.core.kinematics.MoveMap
- movemap_ptr(...) from builtins.PyCapsule
- movemap_ptr(rosetta.protocols.abinitio.KinematicControl) -> rosetta.core.kinematics.MoveMap
- prepare_pose_for_sampling(...) from builtins.PyCapsule
- prepare_pose_for_sampling(self : rosetta.protocols.abinitio.KinematicControl, pose : rosetta.core.pose.Pose) -> bool
- sampling_fold_tree(...) from builtins.PyCapsule
- sampling_fold_tree(rosetta.protocols.abinitio.KinematicControl) -> rosetta.core.kinematics.FoldTree
- set_final_fold_tree(...) from builtins.PyCapsule
- set_final_fold_tree(self : rosetta.protocols.abinitio.KinematicControl, f : rosetta.core.kinematics.FoldTree) -> NoneType
- set_jump_mover(...) from builtins.PyCapsule
- set_jump_mover(self : rosetta.protocols.abinitio.KinematicControl, jm : protocols::simple_moves::FragmentMover) -> NoneType
- set_movemap(...) from builtins.PyCapsule
- set_movemap(self : rosetta.protocols.abinitio.KinematicControl, mm : rosetta.core.kinematics.MoveMap) -> NoneType
- set_sampling_fold_tree(...) from builtins.PyCapsule
- set_sampling_fold_tree(self : rosetta.protocols.abinitio.KinematicControl, f : rosetta.core.kinematics.FoldTree) -> NoneType
- set_strict_movemap(...) from builtins.PyCapsule
- set_strict_movemap(self : rosetta.protocols.abinitio.KinematicControl, mm : rosetta.core.kinematics.MoveMap) -> NoneType
|
class KinematicTaskControl(Protocol) |
| |
- Method resolution order:
- KinematicTaskControl
- Protocol
- rosetta.protocols.moves.Mover
- builtins.object
Methods defined here:
- __init__(...) from builtins.PyCapsule
- __init__(*args, **kwargs)
Overloaded function.
1. __init__(rosetta.protocols.abinitio.KinematicTaskControl) -> NoneType
2. __init__(self : rosetta.protocols.abinitio.KinematicTaskControl, sampler : rosetta.protocols.abinitio.Protocol) -> NoneType
3. __init__(rosetta.protocols.abinitio.KinematicTaskControl, rosetta.protocols.abinitio.KinematicTaskControl) -> NoneType
- __new__(*args, **kwargs) from builtins.type
- Create and return a new object. See help(type) for accurate signature.
- apply(...) from builtins.PyCapsule
- apply(self : rosetta.protocols.abinitio.KinematicTaskControl, pose : rosetta.core.pose.Pose) -> NoneType
- assign(...) from builtins.PyCapsule
- assign(self : rosetta.protocols.abinitio.KinematicTaskControl, : rosetta.protocols.abinitio.KinematicTaskControl) -> rosetta.protocols.abinitio.KinematicTaskControl
- current_kinematics(...) from builtins.PyCapsule
- current_kinematics(rosetta.protocols.abinitio.KinematicTaskControl) -> rosetta.protocols.abinitio.KinematicControl
- get_checkpoints(...) from builtins.PyCapsule
- get_checkpoints(rosetta.protocols.abinitio.KinematicTaskControl) -> rosetta.protocols.checkpoint.CheckPointer
- get_name(...) from builtins.PyCapsule
- get_name(rosetta.protocols.abinitio.KinematicTaskControl) -> str
- init(...) from builtins.PyCapsule
- init(self : rosetta.protocols.abinitio.KinematicTaskControl, pose : rosetta.core.pose.Pose) -> NoneType
- new_kinematics(...) from builtins.PyCapsule
- new_kinematics(self : rosetta.protocols.abinitio.KinematicTaskControl, pose : rosetta.core.pose.Pose) -> rosetta.protocols.abinitio.KinematicControl
- sampling_protocol(...) from builtins.PyCapsule
- sampling_protocol(rosetta.protocols.abinitio.KinematicTaskControl) -> rosetta.protocols.abinitio.Protocol
- set_input_pose_is_fa(...) from builtins.PyCapsule
- set_input_pose_is_fa(*args, **kwargs)
Overloaded function.
1. set_input_pose_is_fa(rosetta.protocols.abinitio.KinematicTaskControl) -> NoneType
2. set_input_pose_is_fa(self : rosetta.protocols.abinitio.KinematicTaskControl, setting : bool) -> NoneType
Methods inherited from Protocol:
- add_evaluation(...) from builtins.PyCapsule
- add_evaluation(self : rosetta.protocols.abinitio.Protocol, ev : rosetta.protocols.evaluation.PoseEvaluator) -> NoneType
- centroid_scorefxn(...) from builtins.PyCapsule
- centroid_scorefxn(rosetta.protocols.abinitio.Protocol) -> rosetta.core.scoring.ScoreFunction
- evaluate_pose(...) from builtins.PyCapsule
- evaluate_pose(self : rosetta.protocols.abinitio.Protocol, pose : rosetta.core.pose.Pose, tag : str, pss : rosetta.core.io.silent.SilentStruct) -> NoneType
- evaluator(...) from builtins.PyCapsule
- evaluator(rosetta.protocols.abinitio.Protocol) -> rosetta.protocols.evaluation.MetaPoseEvaluator
- fullatom_scorefxn(...) from builtins.PyCapsule
- fullatom_scorefxn(rosetta.protocols.abinitio.Protocol) -> rosetta.core.scoring.ScoreFunction
- kinematics(...) from builtins.PyCapsule
- kinematics(rosetta.protocols.abinitio.Protocol) -> rosetta.protocols.abinitio.KinematicControl
- output_debug_structure(...) from builtins.PyCapsule
- output_debug_structure(self : rosetta.protocols.abinitio.Protocol, pose : rosetta.core.pose.Pose, prefix : str) -> NoneType
- register_options(...) from builtins.PyCapsule
- register_options(*args, **kwargs)
Overloaded function.
1. register_options() -> NoneType
Overload this static method if you access options within the mover.
These options will end up in -help of your application if users of this mover call register_options.
Do this recursively!
If you use movers within your mover, call their register_options in your register_options() method.
2. register_options() -> NoneType
3. register_options() -> NoneType
4. register_options() -> NoneType
5. register_options() -> NoneType
6. register_options() -> NoneType
7. register_options() -> NoneType
8. register_options() -> NoneType
9. register_options() -> NoneType
Associates relevant options with the AntibodyModeler class
10. register_options() -> NoneType
Associates relevant options with the AntibodyModeler class
11. register_options() -> NoneType
Associates relevant options with the SnugDock class
12. register_options() -> NoneType
Associates relevant options with the SnugDockProtocol class
13. register_options() -> NoneType
Register the options used by this mover with the global options
system.
14. register_options() -> NoneType
15. register_options() -> NoneType
Associate relevant options with the TemperedDocking class.
16. register_options() -> NoneType
17. register_options() -> NoneType
18. register_options() -> NoneType
Associates relevant options with the TemperedDocking class.
19. register_options() -> NoneType
20. register_options() -> NoneType
Associates relevant options with the ConstraintSetMover class
21. register_options() -> NoneType
22. register_options() -> NoneType
Associates relevant options with the DockingInitialPerturbation class
23. register_options() -> NoneType
Associates relevant options with the DockingProtocol class
24. register_options() -> NoneType
Associates relevant options with the TemperedDocking class
25. register_options() -> NoneType
26. register_options() -> NoneType
27. register_options() -> NoneType
28. register_options() -> NoneType
register options
29. register_options() -> NoneType
30. register_options() -> NoneType
Registers applicable options
31. register_options() -> NoneType
Register options with the option system.
32. register_options() -> NoneType
33. register_options() -> NoneType
34. register_options() -> NoneType
Associates relevant options with the LoopRefineInnerCycle class
35. register_options() -> NoneType
Associates relevant options with the LoopRefineInnerCycleContainer class
36. register_options() -> NoneType
Associates relevant options with the LoopRefineInnerCycle class
37. register_options() -> NoneType
Associates relevant options with the LoopRefineInnerCycle class
38. register_options() -> NoneType
39. register_options() -> NoneType
Register options with the option system.
40. register_options() -> NoneType
- return_centroid(...) from builtins.PyCapsule
- return_centroid(*args, **kwargs)
Overloaded function.
1. return_centroid(rosetta.protocols.abinitio.Protocol) -> bool
2. return_centroid(self : rosetta.protocols.abinitio.Protocol, setting : bool) -> NoneType
- set_centroid_scorefxn(...) from builtins.PyCapsule
- set_centroid_scorefxn(self : rosetta.protocols.abinitio.Protocol, sfxn : rosetta.core.scoring.ScoreFunction) -> NoneType
- set_evaluation(...) from builtins.PyCapsule
- set_evaluation(self : rosetta.protocols.abinitio.Protocol, ev : rosetta.protocols.evaluation.MetaPoseEvaluator) -> NoneType
- set_fullatom_scorefxn(...) from builtins.PyCapsule
- set_fullatom_scorefxn(self : rosetta.protocols.abinitio.Protocol, sfxn : rosetta.core.scoring.ScoreFunction) -> NoneType
- set_kinematics(...) from builtins.PyCapsule
- set_kinematics(self : rosetta.protocols.abinitio.Protocol, kc : rosetta.protocols.abinitio.KinematicControl) -> NoneType
- set_silentout_file_name(...) from builtins.PyCapsule
- set_silentout_file_name(self : rosetta.protocols.abinitio.Protocol, str : str) -> NoneType
- start_from_centroid(...) from builtins.PyCapsule
- start_from_centroid(rosetta.protocols.abinitio.Protocol) -> bool
Methods inherited from rosetta.protocols.moves.Mover:
- clear_info(...) from builtins.PyCapsule
- clear_info(rosetta.protocols.moves.Mover) -> NoneType
Strings container can be used to return miscellaneous info (as std::string) from a mover, such as notes about the results of apply(). The job distributor (Apr 09 vintage) will check this function to see if your protocol wants to add string info to the Job that ran this mover. One way this can be useful is that later, a JobOutputter may include/append this info to an output file.
clear_info is called by jd2 before calling apply
- clone(...) from builtins.PyCapsule
- clone(rosetta.protocols.moves.Mover) -> rosetta.protocols.moves.Mover
Return a clone of the Mover object.
- create(...) from builtins.PyCapsule
- create(rosetta.protocols.moves.Mover) -> rosetta.protocols.moves.Mover
- fresh_instance(...) from builtins.PyCapsule
- fresh_instance(rosetta.protocols.moves.Mover) -> rosetta.protocols.moves.Mover
Generates a new Mover object freshly created with the default ctor.
- get_additional_output(...) from builtins.PyCapsule
- get_additional_output(rosetta.protocols.moves.Mover) -> rosetta.core.pose.Pose
fpd
Mechanism by which a mover may return multiple output poses from a single input pose.
- get_current_job(...) from builtins.PyCapsule
- get_current_job(rosetta.protocols.moves.Mover) -> protocols::jobdist::BasicJob
- get_current_tag(...) from builtins.PyCapsule
- get_current_tag(rosetta.protocols.moves.Mover) -> str
A tag is a unique identifier used to identify structures produced
by this Mover. get_current_tag() returns the tag, and set_current_tag( std::string tag )
sets the tag. This functionality is not intended for use with the 2008 job distributor.
- get_input_pose(...) from builtins.PyCapsule
- get_input_pose(rosetta.protocols.moves.Mover) -> rosetta.core.pose.Pose
- get_last_move_status(...) from builtins.PyCapsule
- get_last_move_status(rosetta.protocols.moves.Mover) -> rosetta.protocols.moves.MoverStatus
returns status after an apply(). The job distributor (august 08 vintage) will check this function to see if your protocol wants to filter its results - if your protocol wants to say "that run was no good, skip it" then use the protected last_move_status(MoverStatus) to change the value that this function will return.
- get_native_pose(...) from builtins.PyCapsule
- get_native_pose(rosetta.protocols.moves.Mover) -> rosetta.core.pose.Pose
- get_self_ptr(...) from builtins.PyCapsule
- get_self_ptr(*args, **kwargs)
Overloaded function.
1. get_self_ptr(rosetta.protocols.moves.Mover) -> rosetta.protocols.moves.Mover
2. get_self_ptr(rosetta.protocols.moves.Mover) -> rosetta.protocols.moves.Mover
- get_self_weak_ptr(...) from builtins.PyCapsule
- get_self_weak_ptr(*args, **kwargs)
Overloaded function.
1. get_self_weak_ptr(rosetta.protocols.moves.Mover) -> rosetta.std.weak_ptr_const_protocols_moves_Mover_t
2. get_self_weak_ptr(rosetta.protocols.moves.Mover) -> rosetta.std.weak_ptr_protocols_moves_Mover_t
- get_type(...) from builtins.PyCapsule
- get_type(rosetta.protocols.moves.Mover) -> str
- info(...) from builtins.PyCapsule
- info(*args, **kwargs)
Overloaded function.
1. info(rosetta.protocols.moves.Mover) -> rosetta.std.list_std_string_std_allocator_std_string_t
non-const accessor
2. info(rosetta.protocols.moves.Mover) -> rosetta.std.list_std_string_std_allocator_std_string_t
const accessor
- last_proposal_density_ratio(...) from builtins.PyCapsule
- last_proposal_density_ratio(rosetta.protocols.moves.Mover) -> float
- name(...) from builtins.PyCapsule
- name() -> str
- reinitialize_for_each_job(...) from builtins.PyCapsule
- reinitialize_for_each_job(rosetta.protocols.moves.Mover) -> bool
Inform the Job Distributor (August '08 vintage) whether this object needs to be freshly regenerated on
each use.
- reinitialize_for_new_input(...) from builtins.PyCapsule
- reinitialize_for_new_input(rosetta.protocols.moves.Mover) -> bool
Inform the Job Distributor (August '08 vintage) whether this object needs to be regenerated when the input
pose is about to change, (for example, if the Mover has special code on the first apply() that is only valid for
that one input pose).
- reset_status(...) from builtins.PyCapsule
- reset_status(rosetta.protocols.moves.Mover) -> NoneType
resets status to SUCCESS, meant to be used before an apply(). The job distributor (august 08 vintage) uses this to ensure non-accumulation of status across apply()s.
- set_current_job(...) from builtins.PyCapsule
- set_current_job(self : rosetta.protocols.moves.Mover, job : protocols::jobdist::BasicJob) -> NoneType
////////////////////////////end Job Distributor interface////////////////////////////////////////
- set_current_tag(...) from builtins.PyCapsule
- set_current_tag(self : rosetta.protocols.moves.Mover, new_tag : str) -> NoneType
- set_input_pose(...) from builtins.PyCapsule
- set_input_pose(self : rosetta.protocols.moves.Mover, pose : rosetta.core.pose.Pose) -> NoneType
setter for poses contained for rms
- set_native_pose(...) from builtins.PyCapsule
- set_native_pose(self : rosetta.protocols.moves.Mover, pose : rosetta.core.pose.Pose) -> NoneType
setter for native poses contained for rms ---- we should get rid of this method? it is widely used, but a bit unsafe
- set_type(...) from builtins.PyCapsule
- set_type(self : rosetta.protocols.moves.Mover, setting : str) -> NoneType
- test_move(...) from builtins.PyCapsule
- test_move(self : rosetta.protocols.moves.Mover, pose : rosetta.core.pose.Pose) -> NoneType
: Unit test support function. Apply one move to a given pose.
Allows extra test specific functions to be called before applying
- type(...) from builtins.PyCapsule
- type(*args, **kwargs)
Overloaded function.
1. type(rosetta.protocols.moves.Mover) -> str
2. type(self : rosetta.protocols.moves.Mover, type_in : str) -> NoneType
|
class LoopJumpFoldCst(KinematicTaskControl) |
| |
- Method resolution order:
- LoopJumpFoldCst
- KinematicTaskControl
- Protocol
- rosetta.protocols.moves.Mover
- builtins.object
Methods defined here:
- __init__(...) from builtins.PyCapsule
- __init__(*args, **kwargs)
Overloaded function.
1. __init__(handle, rosetta.protocols.jumping.BaseJumpSetup, rosetta.protocols.loops.Loops, rosetta.protocols.abinitio.Protocol, rosetta.core.fragment.SecondaryStructure, float) -> NoneType
doc
2. __init__(self : handle, jump_def : rosetta.protocols.jumping.BaseJumpSetup, loops : rosetta.protocols.loops.Loops, sampler : rosetta.protocols.abinitio.Protocol, ss_def : rosetta.core.fragment.SecondaryStructure, coord_cst_weight : float, bCstAllAtom : bool) -> NoneType
3. __init__(handle, rosetta.protocols.abinitio.LoopJumpFoldCst) -> NoneType
- __new__(*args, **kwargs) from builtins.type
- Create and return a new object. See help(type) for accurate signature.
- assign(...) from builtins.PyCapsule
- assign(self : rosetta.protocols.abinitio.LoopJumpFoldCst, : rosetta.protocols.abinitio.LoopJumpFoldCst) -> rosetta.protocols.abinitio.LoopJumpFoldCst
- get_name(...) from builtins.PyCapsule
- get_name(rosetta.protocols.abinitio.LoopJumpFoldCst) -> str
- new_kinematics(...) from builtins.PyCapsule
- new_kinematics(self : rosetta.protocols.abinitio.LoopJumpFoldCst, pose : rosetta.core.pose.Pose) -> rosetta.protocols.abinitio.KinematicControl
- set_coord_cst_weight_array(...) from builtins.PyCapsule
- set_coord_cst_weight_array(self : rosetta.protocols.abinitio.LoopJumpFoldCst, vec : rosetta.utility.vector1_double) -> NoneType
- set_dump_weights_file(...) from builtins.PyCapsule
- set_dump_weights_file(self : rosetta.protocols.abinitio.LoopJumpFoldCst, str : str) -> NoneType
Methods inherited from KinematicTaskControl:
- apply(...) from builtins.PyCapsule
- apply(self : rosetta.protocols.abinitio.KinematicTaskControl, pose : rosetta.core.pose.Pose) -> NoneType
- current_kinematics(...) from builtins.PyCapsule
- current_kinematics(rosetta.protocols.abinitio.KinematicTaskControl) -> rosetta.protocols.abinitio.KinematicControl
- get_checkpoints(...) from builtins.PyCapsule
- get_checkpoints(rosetta.protocols.abinitio.KinematicTaskControl) -> rosetta.protocols.checkpoint.CheckPointer
- init(...) from builtins.PyCapsule
- init(self : rosetta.protocols.abinitio.KinematicTaskControl, pose : rosetta.core.pose.Pose) -> NoneType
- sampling_protocol(...) from builtins.PyCapsule
- sampling_protocol(rosetta.protocols.abinitio.KinematicTaskControl) -> rosetta.protocols.abinitio.Protocol
- set_input_pose_is_fa(...) from builtins.PyCapsule
- set_input_pose_is_fa(*args, **kwargs)
Overloaded function.
1. set_input_pose_is_fa(rosetta.protocols.abinitio.KinematicTaskControl) -> NoneType
2. set_input_pose_is_fa(self : rosetta.protocols.abinitio.KinematicTaskControl, setting : bool) -> NoneType
Methods inherited from Protocol:
- add_evaluation(...) from builtins.PyCapsule
- add_evaluation(self : rosetta.protocols.abinitio.Protocol, ev : rosetta.protocols.evaluation.PoseEvaluator) -> NoneType
- centroid_scorefxn(...) from builtins.PyCapsule
- centroid_scorefxn(rosetta.protocols.abinitio.Protocol) -> rosetta.core.scoring.ScoreFunction
- evaluate_pose(...) from builtins.PyCapsule
- evaluate_pose(self : rosetta.protocols.abinitio.Protocol, pose : rosetta.core.pose.Pose, tag : str, pss : rosetta.core.io.silent.SilentStruct) -> NoneType
- evaluator(...) from builtins.PyCapsule
- evaluator(rosetta.protocols.abinitio.Protocol) -> rosetta.protocols.evaluation.MetaPoseEvaluator
- fullatom_scorefxn(...) from builtins.PyCapsule
- fullatom_scorefxn(rosetta.protocols.abinitio.Protocol) -> rosetta.core.scoring.ScoreFunction
- kinematics(...) from builtins.PyCapsule
- kinematics(rosetta.protocols.abinitio.Protocol) -> rosetta.protocols.abinitio.KinematicControl
- output_debug_structure(...) from builtins.PyCapsule
- output_debug_structure(self : rosetta.protocols.abinitio.Protocol, pose : rosetta.core.pose.Pose, prefix : str) -> NoneType
- register_options(...) from builtins.PyCapsule
- register_options(*args, **kwargs)
Overloaded function.
1. register_options() -> NoneType
Overload this static method if you access options within the mover.
These options will end up in -help of your application if users of this mover call register_options.
Do this recursively!
If you use movers within your mover, call their register_options in your register_options() method.
2. register_options() -> NoneType
3. register_options() -> NoneType
4. register_options() -> NoneType
5. register_options() -> NoneType
6. register_options() -> NoneType
7. register_options() -> NoneType
8. register_options() -> NoneType
9. register_options() -> NoneType
Associates relevant options with the AntibodyModeler class
10. register_options() -> NoneType
Associates relevant options with the AntibodyModeler class
11. register_options() -> NoneType
Associates relevant options with the SnugDock class
12. register_options() -> NoneType
Associates relevant options with the SnugDockProtocol class
13. register_options() -> NoneType
Register the options used by this mover with the global options
system.
14. register_options() -> NoneType
15. register_options() -> NoneType
Associate relevant options with the TemperedDocking class.
16. register_options() -> NoneType
17. register_options() -> NoneType
18. register_options() -> NoneType
Associates relevant options with the TemperedDocking class.
19. register_options() -> NoneType
20. register_options() -> NoneType
Associates relevant options with the ConstraintSetMover class
21. register_options() -> NoneType
22. register_options() -> NoneType
Associates relevant options with the DockingInitialPerturbation class
23. register_options() -> NoneType
Associates relevant options with the DockingProtocol class
24. register_options() -> NoneType
Associates relevant options with the TemperedDocking class
25. register_options() -> NoneType
26. register_options() -> NoneType
27. register_options() -> NoneType
28. register_options() -> NoneType
register options
29. register_options() -> NoneType
30. register_options() -> NoneType
Registers applicable options
31. register_options() -> NoneType
Register options with the option system.
32. register_options() -> NoneType
33. register_options() -> NoneType
34. register_options() -> NoneType
Associates relevant options with the LoopRefineInnerCycle class
35. register_options() -> NoneType
Associates relevant options with the LoopRefineInnerCycleContainer class
36. register_options() -> NoneType
Associates relevant options with the LoopRefineInnerCycle class
37. register_options() -> NoneType
Associates relevant options with the LoopRefineInnerCycle class
38. register_options() -> NoneType
39. register_options() -> NoneType
Register options with the option system.
40. register_options() -> NoneType
- return_centroid(...) from builtins.PyCapsule
- return_centroid(*args, **kwargs)
Overloaded function.
1. return_centroid(rosetta.protocols.abinitio.Protocol) -> bool
2. return_centroid(self : rosetta.protocols.abinitio.Protocol, setting : bool) -> NoneType
- set_centroid_scorefxn(...) from builtins.PyCapsule
- set_centroid_scorefxn(self : rosetta.protocols.abinitio.Protocol, sfxn : rosetta.core.scoring.ScoreFunction) -> NoneType
- set_evaluation(...) from builtins.PyCapsule
- set_evaluation(self : rosetta.protocols.abinitio.Protocol, ev : rosetta.protocols.evaluation.MetaPoseEvaluator) -> NoneType
- set_fullatom_scorefxn(...) from builtins.PyCapsule
- set_fullatom_scorefxn(self : rosetta.protocols.abinitio.Protocol, sfxn : rosetta.core.scoring.ScoreFunction) -> NoneType
- set_kinematics(...) from builtins.PyCapsule
- set_kinematics(self : rosetta.protocols.abinitio.Protocol, kc : rosetta.protocols.abinitio.KinematicControl) -> NoneType
- set_silentout_file_name(...) from builtins.PyCapsule
- set_silentout_file_name(self : rosetta.protocols.abinitio.Protocol, str : str) -> NoneType
- start_from_centroid(...) from builtins.PyCapsule
- start_from_centroid(rosetta.protocols.abinitio.Protocol) -> bool
Methods inherited from rosetta.protocols.moves.Mover:
- clear_info(...) from builtins.PyCapsule
- clear_info(rosetta.protocols.moves.Mover) -> NoneType
Strings container can be used to return miscellaneous info (as std::string) from a mover, such as notes about the results of apply(). The job distributor (Apr 09 vintage) will check this function to see if your protocol wants to add string info to the Job that ran this mover. One way this can be useful is that later, a JobOutputter may include/append this info to an output file.
clear_info is called by jd2 before calling apply
- clone(...) from builtins.PyCapsule
- clone(rosetta.protocols.moves.Mover) -> rosetta.protocols.moves.Mover
Return a clone of the Mover object.
- create(...) from builtins.PyCapsule
- create(rosetta.protocols.moves.Mover) -> rosetta.protocols.moves.Mover
- fresh_instance(...) from builtins.PyCapsule
- fresh_instance(rosetta.protocols.moves.Mover) -> rosetta.protocols.moves.Mover
Generates a new Mover object freshly created with the default ctor.
- get_additional_output(...) from builtins.PyCapsule
- get_additional_output(rosetta.protocols.moves.Mover) -> rosetta.core.pose.Pose
fpd
Mechanism by which a mover may return multiple output poses from a single input pose.
- get_current_job(...) from builtins.PyCapsule
- get_current_job(rosetta.protocols.moves.Mover) -> protocols::jobdist::BasicJob
- get_current_tag(...) from builtins.PyCapsule
- get_current_tag(rosetta.protocols.moves.Mover) -> str
A tag is a unique identifier used to identify structures produced
by this Mover. get_current_tag() returns the tag, and set_current_tag( std::string tag )
sets the tag. This functionality is not intended for use with the 2008 job distributor.
- get_input_pose(...) from builtins.PyCapsule
- get_input_pose(rosetta.protocols.moves.Mover) -> rosetta.core.pose.Pose
- get_last_move_status(...) from builtins.PyCapsule
- get_last_move_status(rosetta.protocols.moves.Mover) -> rosetta.protocols.moves.MoverStatus
returns status after an apply(). The job distributor (august 08 vintage) will check this function to see if your protocol wants to filter its results - if your protocol wants to say "that run was no good, skip it" then use the protected last_move_status(MoverStatus) to change the value that this function will return.
- get_native_pose(...) from builtins.PyCapsule
- get_native_pose(rosetta.protocols.moves.Mover) -> rosetta.core.pose.Pose
- get_self_ptr(...) from builtins.PyCapsule
- get_self_ptr(*args, **kwargs)
Overloaded function.
1. get_self_ptr(rosetta.protocols.moves.Mover) -> rosetta.protocols.moves.Mover
2. get_self_ptr(rosetta.protocols.moves.Mover) -> rosetta.protocols.moves.Mover
- get_self_weak_ptr(...) from builtins.PyCapsule
- get_self_weak_ptr(*args, **kwargs)
Overloaded function.
1. get_self_weak_ptr(rosetta.protocols.moves.Mover) -> rosetta.std.weak_ptr_const_protocols_moves_Mover_t
2. get_self_weak_ptr(rosetta.protocols.moves.Mover) -> rosetta.std.weak_ptr_protocols_moves_Mover_t
- get_type(...) from builtins.PyCapsule
- get_type(rosetta.protocols.moves.Mover) -> str
- info(...) from builtins.PyCapsule
- info(*args, **kwargs)
Overloaded function.
1. info(rosetta.protocols.moves.Mover) -> rosetta.std.list_std_string_std_allocator_std_string_t
non-const accessor
2. info(rosetta.protocols.moves.Mover) -> rosetta.std.list_std_string_std_allocator_std_string_t
const accessor
- last_proposal_density_ratio(...) from builtins.PyCapsule
- last_proposal_density_ratio(rosetta.protocols.moves.Mover) -> float
- name(...) from builtins.PyCapsule
- name() -> str
- reinitialize_for_each_job(...) from builtins.PyCapsule
- reinitialize_for_each_job(rosetta.protocols.moves.Mover) -> bool
Inform the Job Distributor (August '08 vintage) whether this object needs to be freshly regenerated on
each use.
- reinitialize_for_new_input(...) from builtins.PyCapsule
- reinitialize_for_new_input(rosetta.protocols.moves.Mover) -> bool
Inform the Job Distributor (August '08 vintage) whether this object needs to be regenerated when the input
pose is about to change, (for example, if the Mover has special code on the first apply() that is only valid for
that one input pose).
- reset_status(...) from builtins.PyCapsule
- reset_status(rosetta.protocols.moves.Mover) -> NoneType
resets status to SUCCESS, meant to be used before an apply(). The job distributor (august 08 vintage) uses this to ensure non-accumulation of status across apply()s.
- set_current_job(...) from builtins.PyCapsule
- set_current_job(self : rosetta.protocols.moves.Mover, job : protocols::jobdist::BasicJob) -> NoneType
////////////////////////////end Job Distributor interface////////////////////////////////////////
- set_current_tag(...) from builtins.PyCapsule
- set_current_tag(self : rosetta.protocols.moves.Mover, new_tag : str) -> NoneType
- set_input_pose(...) from builtins.PyCapsule
- set_input_pose(self : rosetta.protocols.moves.Mover, pose : rosetta.core.pose.Pose) -> NoneType
setter for poses contained for rms
- set_native_pose(...) from builtins.PyCapsule
- set_native_pose(self : rosetta.protocols.moves.Mover, pose : rosetta.core.pose.Pose) -> NoneType
setter for native poses contained for rms ---- we should get rid of this method? it is widely used, but a bit unsafe
- set_type(...) from builtins.PyCapsule
- set_type(self : rosetta.protocols.moves.Mover, setting : str) -> NoneType
- test_move(...) from builtins.PyCapsule
- test_move(self : rosetta.protocols.moves.Mover, pose : rosetta.core.pose.Pose) -> NoneType
: Unit test support function. Apply one move to a given pose.
Allows extra test specific functions to be called before applying
- type(...) from builtins.PyCapsule
- type(*args, **kwargs)
Overloaded function.
1. type(rosetta.protocols.moves.Mover) -> str
2. type(self : rosetta.protocols.moves.Mover, type_in : str) -> NoneType
|
class MembraneAbinitio(Protocol) |
|
@ detail
general usage:
MembraneAbinitio abinitio;
abinitio.init( pose );
...
while(nstruct) {
abinitio.apply( pose );
}
call MembraneAbinitio::register_options() before core::init::init to add relevant options to the applications help
, with the following
stages, all of which uses a different ScoreFunction based on the cen_std.wts in minirosetta_database:
- Stage 1: large (usually 9mer) randomly selected fragment insertions, only VDW term turned on.
Uses score0.wts_patch and runs for either a maximum of 2000 cycles or until all moveable phi/psi values
have been changed.
- Stage 2: large randomly selected fragment insertions, more score terms turned on. Uses score1.wts_patch
and runs for 2000 cycles.
- Stage 3: uses large randomly selected fragment insertions, although the size of the fragment insertions
is tunable via the set_apply_large_frags( bool ) method. Alternates between score2.wts_patch and score5.wts_patch,
running tunable numbers of 2000-cycle iterations between the two scoring functions.
- Stage 4: uses small (usually 3mer) fragment insertions with the fragment selection based on the Gunn cost for
finding local fragment moves. Runs for 4000-cycles and uses score3.wts_patch.
The class implements the basic abinito approach as known from rosetta++. We tried to set this up, such that
behaviour of the protocol can be changed in many different ways ( see, e.g., FoldConstraints ). To be able to change the
behaviour of the protocol easily the class-apply function and methods called therein (e.g., prepare_XXX() / do_XXX_cycles() ) should
not directly change moves or trials. A reference to the currently used score-function should be obtained by
mc().score_function() ...
Behaviour can be changed in the following ways:
use non-classic FragmentMover --> eg. not uniformly sampled fragments, but using some weighting
--> large and small moves doesn't have to be 3mers and 9mers... use other movers...
---> or other fragets for the "convenience constructor"
use custom trial classes --> overload update_moves()
change sampling behaviour:
overload prepare_XXX() methods: these are called before the cycling for a certain stage begins
overload do_stageX_cycles() : the actual loops over trial-moves ...
change scoring functions:
overload set_default_scores()
weight-changes effective for all stages: set_score_weight() |
|
- Method resolution order:
- MembraneAbinitio
- Protocol
- rosetta.protocols.moves.Mover
- builtins.object
Methods defined here:
- __init__(...) from builtins.PyCapsule
- __init__(*args, **kwargs)
Overloaded function.
1. __init__(self : handle, brute_move_small : protocols::simple_moves::FragmentMover, brute_move_small_top25 : protocols::simple_moves::FragmentMover, brute_move_large : protocols::simple_moves::FragmentMover, smooth_move_small : protocols::simple_moves::FragmentMover, : int) -> NoneType
2. __init__(self : handle, fragset_small : rosetta.core.fragment.FragSet, fragset_small_top25 : rosetta.core.fragment.FragSet, fragset_large : rosetta.core.fragment.FragSet, movemap : rosetta.core.kinematics.MoveMap) -> NoneType
3. __init__(handle, rosetta.protocols.abinitio.MembraneAbinitio) -> NoneType
- __new__(*args, **kwargs) from builtins.type
- Create and return a new object. See help(type) for accurate signature.
- add_spanning_region(...) from builtins.PyCapsule
- add_spanning_region(self : rosetta.protocols.abinitio.MembraneAbinitio, pose : rosetta.core.pose.Pose) -> NoneType
- apply(...) from builtins.PyCapsule
- apply(self : rosetta.protocols.abinitio.MembraneAbinitio, pose : rosetta.core.pose.Pose) -> NoneType
- assign(...) from builtins.PyCapsule
- assign(self : rosetta.protocols.abinitio.MembraneAbinitio, : rosetta.protocols.abinitio.MembraneAbinitio) -> rosetta.protocols.abinitio.MembraneAbinitio
- bQuickTest(...) from builtins.PyCapsule
- bQuickTest(rosetta.protocols.abinitio.MembraneAbinitio) -> bool
- brute_move_large(...) from builtins.PyCapsule
- brute_move_large(rosetta.protocols.abinitio.MembraneAbinitio) -> protocols::simple_moves::FragmentMover
- brute_move_small(...) from builtins.PyCapsule
- brute_move_small(rosetta.protocols.abinitio.MembraneAbinitio) -> protocols::simple_moves::FragmentMover
- brute_move_small_top25(...) from builtins.PyCapsule
- brute_move_small_top25(rosetta.protocols.abinitio.MembraneAbinitio) -> protocols::simple_moves::FragmentMover
- checkpoint(...) from builtins.PyCapsule
- checkpoint(self : rosetta.protocols.abinitio.MembraneAbinitio, pose : rosetta.core.pose.Pose, id : str) -> NoneType
- clear_checkpoints(...) from builtins.PyCapsule
- clear_checkpoints(rosetta.protocols.abinitio.MembraneAbinitio) -> NoneType
- clone(...) from builtins.PyCapsule
- clone(rosetta.protocols.abinitio.MembraneAbinitio) -> rosetta.protocols.moves.Mover
- get_name(...) from builtins.PyCapsule
- get_name(rosetta.protocols.abinitio.MembraneAbinitio) -> str
- init(...) from builtins.PyCapsule
- init(self : rosetta.protocols.abinitio.MembraneAbinitio, pose : rosetta.core.pose.Pose) -> NoneType
- just_smooth_cycles(...) from builtins.PyCapsule
- just_smooth_cycles(rosetta.protocols.abinitio.MembraneAbinitio) -> bool
- mc(...) from builtins.PyCapsule
- mc(*args, **kwargs)
Overloaded function.
1. mc(rosetta.protocols.abinitio.MembraneAbinitio) -> rosetta.protocols.moves.MonteCarlo
2. mc(rosetta.protocols.abinitio.MembraneAbinitio) -> rosetta.protocols.moves.MonteCarlo
- move_all_inserted(...) from builtins.PyCapsule
- move_all_inserted(self : rosetta.protocols.abinitio.MembraneAbinitio, pose : rosetta.core.pose.Pose) -> NoneType
- movemap(...) from builtins.PyCapsule
- movemap(rosetta.protocols.abinitio.MembraneAbinitio) -> rosetta.core.kinematics.MoveMap
- print_debug(...) from builtins.PyCapsule
- print_debug(self : rosetta.protocols.abinitio.MembraneAbinitio, pose : rosetta.core.pose.Pose) -> NoneType
- recover_checkpoint(...) from builtins.PyCapsule
- recover_checkpoint(self : rosetta.protocols.abinitio.MembraneAbinitio, pose : rosetta.core.pose.Pose, id : str) -> bool
- register_options(...) from builtins.PyCapsule
- register_options(*args, **kwargs)
Overloaded function.
1. register_options() -> NoneType
Overload this static method if you access options within the mover.
These options will end up in -help of your application if users of this mover call register_options.
Do this recursively!
If you use movers within your mover, call their register_options in your register_options() method.
2. register_options() -> NoneType
3. register_options() -> NoneType
4. register_options() -> NoneType
5. register_options() -> NoneType
6. register_options() -> NoneType
7. register_options() -> NoneType
8. register_options() -> NoneType
9. register_options() -> NoneType
Associates relevant options with the AntibodyModeler class
10. register_options() -> NoneType
Associates relevant options with the AntibodyModeler class
11. register_options() -> NoneType
Associates relevant options with the SnugDock class
12. register_options() -> NoneType
Associates relevant options with the SnugDockProtocol class
13. register_options() -> NoneType
Register the options used by this mover with the global options
system.
14. register_options() -> NoneType
15. register_options() -> NoneType
Associate relevant options with the TemperedDocking class.
16. register_options() -> NoneType
17. register_options() -> NoneType
18. register_options() -> NoneType
Associates relevant options with the TemperedDocking class.
19. register_options() -> NoneType
20. register_options() -> NoneType
Associates relevant options with the ConstraintSetMover class
21. register_options() -> NoneType
22. register_options() -> NoneType
Associates relevant options with the DockingInitialPerturbation class
23. register_options() -> NoneType
Associates relevant options with the DockingProtocol class
24. register_options() -> NoneType
Associates relevant options with the TemperedDocking class
25. register_options() -> NoneType
26. register_options() -> NoneType
27. register_options() -> NoneType
28. register_options() -> NoneType
register options
29. register_options() -> NoneType
30. register_options() -> NoneType
Registers applicable options
31. register_options() -> NoneType
Register options with the option system.
32. register_options() -> NoneType
33. register_options() -> NoneType
34. register_options() -> NoneType
Associates relevant options with the LoopRefineInnerCycle class
35. register_options() -> NoneType
Associates relevant options with the LoopRefineInnerCycleContainer class
36. register_options() -> NoneType
Associates relevant options with the LoopRefineInnerCycle class
37. register_options() -> NoneType
Associates relevant options with the LoopRefineInnerCycle class
38. register_options() -> NoneType
39. register_options() -> NoneType
Register options with the option system.
40. register_options() -> NoneType
- set_cycles(...) from builtins.PyCapsule
- set_cycles(*args, **kwargs)
Overloaded function.
1. set_cycles(rosetta.protocols.abinitio.MembraneAbinitio) -> NoneType
2. set_cycles(self : rosetta.protocols.abinitio.MembraneAbinitio, increase_cycles : float) -> NoneType
- set_mc(...) from builtins.PyCapsule
- set_mc(self : rosetta.protocols.abinitio.MembraneAbinitio, : rosetta.protocols.moves.MonteCarlo) -> NoneType
- set_movemap(...) from builtins.PyCapsule
- set_movemap(self : rosetta.protocols.abinitio.MembraneAbinitio, mm : rosetta.core.kinematics.MoveMap) -> NoneType
- set_moves(...) from builtins.PyCapsule
- set_moves(self : rosetta.protocols.abinitio.MembraneAbinitio, brute_move_small : protocols::simple_moves::FragmentMover, brute_move_large : protocols::simple_moves::FragmentMover, smooth_move_small : protocols::simple_moves::FragmentMover) -> NoneType
- set_only_stage4(...) from builtins.PyCapsule
- set_only_stage4(self : rosetta.protocols.abinitio.MembraneAbinitio, value : bool) -> NoneType
- set_score_weight(...) from builtins.PyCapsule
- set_score_weight(*args, **kwargs)
Overloaded function.
1. set_score_weight(self : rosetta.protocols.abinitio.MembraneAbinitio, : rosetta.core.scoring.ScoreType, setting : float) -> NoneType
2. set_score_weight(self : rosetta.protocols.abinitio.MembraneAbinitio, : rosetta.core.scoring.ScoreType, setting : float, stage : rosetta.protocols.abinitio.StageID) -> NoneType
- set_stage4_cycles(...) from builtins.PyCapsule
- set_stage4_cycles(self : rosetta.protocols.abinitio.MembraneAbinitio, stage4_cycles_new : int) -> NoneType
- smooth_move_small(...) from builtins.PyCapsule
- smooth_move_small(rosetta.protocols.abinitio.MembraneAbinitio) -> protocols::simple_moves::FragmentMover
- stage1_cycles(...) from builtins.PyCapsule
- stage1_cycles(rosetta.protocols.abinitio.MembraneAbinitio) -> int
- stage2_cycles(...) from builtins.PyCapsule
- stage2_cycles(rosetta.protocols.abinitio.MembraneAbinitio) -> int
- stage3_cycles(...) from builtins.PyCapsule
- stage3_cycles(rosetta.protocols.abinitio.MembraneAbinitio) -> int
- stage4_cycles(...) from builtins.PyCapsule
- stage4_cycles(rosetta.protocols.abinitio.MembraneAbinitio) -> int
- total_trials(...) from builtins.PyCapsule
- total_trials(rosetta.protocols.abinitio.MembraneAbinitio) -> int
Data and other attributes defined here:
- ALL_STAGES = StageID.ALL_STAGES
- STAGE_1 = StageID.STAGE_1
- STAGE_2 = StageID.STAGE_2
- STAGE_3a = StageID.STAGE_3a
- STAGE_3b = StageID.STAGE_3b
- STAGE_4 = StageID.STAGE_4
- StageID = <class 'rosetta.protocols.abinitio.MembraneAbinitio.StageID'>
Methods inherited from Protocol:
- add_evaluation(...) from builtins.PyCapsule
- add_evaluation(self : rosetta.protocols.abinitio.Protocol, ev : rosetta.protocols.evaluation.PoseEvaluator) -> NoneType
- centroid_scorefxn(...) from builtins.PyCapsule
- centroid_scorefxn(rosetta.protocols.abinitio.Protocol) -> rosetta.core.scoring.ScoreFunction
- evaluate_pose(...) from builtins.PyCapsule
- evaluate_pose(self : rosetta.protocols.abinitio.Protocol, pose : rosetta.core.pose.Pose, tag : str, pss : rosetta.core.io.silent.SilentStruct) -> NoneType
- evaluator(...) from builtins.PyCapsule
- evaluator(rosetta.protocols.abinitio.Protocol) -> rosetta.protocols.evaluation.MetaPoseEvaluator
- fullatom_scorefxn(...) from builtins.PyCapsule
- fullatom_scorefxn(rosetta.protocols.abinitio.Protocol) -> rosetta.core.scoring.ScoreFunction
- get_checkpoints(...) from builtins.PyCapsule
- get_checkpoints(rosetta.protocols.abinitio.Protocol) -> rosetta.protocols.checkpoint.CheckPointer
- kinematics(...) from builtins.PyCapsule
- kinematics(rosetta.protocols.abinitio.Protocol) -> rosetta.protocols.abinitio.KinematicControl
- output_debug_structure(...) from builtins.PyCapsule
- output_debug_structure(self : rosetta.protocols.abinitio.Protocol, pose : rosetta.core.pose.Pose, prefix : str) -> NoneType
- return_centroid(...) from builtins.PyCapsule
- return_centroid(*args, **kwargs)
Overloaded function.
1. return_centroid(rosetta.protocols.abinitio.Protocol) -> bool
2. return_centroid(self : rosetta.protocols.abinitio.Protocol, setting : bool) -> NoneType
- set_centroid_scorefxn(...) from builtins.PyCapsule
- set_centroid_scorefxn(self : rosetta.protocols.abinitio.Protocol, sfxn : rosetta.core.scoring.ScoreFunction) -> NoneType
- set_evaluation(...) from builtins.PyCapsule
- set_evaluation(self : rosetta.protocols.abinitio.Protocol, ev : rosetta.protocols.evaluation.MetaPoseEvaluator) -> NoneType
- set_fullatom_scorefxn(...) from builtins.PyCapsule
- set_fullatom_scorefxn(self : rosetta.protocols.abinitio.Protocol, sfxn : rosetta.core.scoring.ScoreFunction) -> NoneType
- set_kinematics(...) from builtins.PyCapsule
- set_kinematics(self : rosetta.protocols.abinitio.Protocol, kc : rosetta.protocols.abinitio.KinematicControl) -> NoneType
- set_silentout_file_name(...) from builtins.PyCapsule
- set_silentout_file_name(self : rosetta.protocols.abinitio.Protocol, str : str) -> NoneType
- start_from_centroid(...) from builtins.PyCapsule
- start_from_centroid(rosetta.protocols.abinitio.Protocol) -> bool
Methods inherited from rosetta.protocols.moves.Mover:
- clear_info(...) from builtins.PyCapsule
- clear_info(rosetta.protocols.moves.Mover) -> NoneType
Strings container can be used to return miscellaneous info (as std::string) from a mover, such as notes about the results of apply(). The job distributor (Apr 09 vintage) will check this function to see if your protocol wants to add string info to the Job that ran this mover. One way this can be useful is that later, a JobOutputter may include/append this info to an output file.
clear_info is called by jd2 before calling apply
- create(...) from builtins.PyCapsule
- create(rosetta.protocols.moves.Mover) -> rosetta.protocols.moves.Mover
- fresh_instance(...) from builtins.PyCapsule
- fresh_instance(rosetta.protocols.moves.Mover) -> rosetta.protocols.moves.Mover
Generates a new Mover object freshly created with the default ctor.
- get_additional_output(...) from builtins.PyCapsule
- get_additional_output(rosetta.protocols.moves.Mover) -> rosetta.core.pose.Pose
fpd
Mechanism by which a mover may return multiple output poses from a single input pose.
- get_current_job(...) from builtins.PyCapsule
- get_current_job(rosetta.protocols.moves.Mover) -> protocols::jobdist::BasicJob
- get_current_tag(...) from builtins.PyCapsule
- get_current_tag(rosetta.protocols.moves.Mover) -> str
A tag is a unique identifier used to identify structures produced
by this Mover. get_current_tag() returns the tag, and set_current_tag( std::string tag )
sets the tag. This functionality is not intended for use with the 2008 job distributor.
- get_input_pose(...) from builtins.PyCapsule
- get_input_pose(rosetta.protocols.moves.Mover) -> rosetta.core.pose.Pose
- get_last_move_status(...) from builtins.PyCapsule
- get_last_move_status(rosetta.protocols.moves.Mover) -> rosetta.protocols.moves.MoverStatus
returns status after an apply(). The job distributor (august 08 vintage) will check this function to see if your protocol wants to filter its results - if your protocol wants to say "that run was no good, skip it" then use the protected last_move_status(MoverStatus) to change the value that this function will return.
- get_native_pose(...) from builtins.PyCapsule
- get_native_pose(rosetta.protocols.moves.Mover) -> rosetta.core.pose.Pose
- get_self_ptr(...) from builtins.PyCapsule
- get_self_ptr(*args, **kwargs)
Overloaded function.
1. get_self_ptr(rosetta.protocols.moves.Mover) -> rosetta.protocols.moves.Mover
2. get_self_ptr(rosetta.protocols.moves.Mover) -> rosetta.protocols.moves.Mover
- get_self_weak_ptr(...) from builtins.PyCapsule
- get_self_weak_ptr(*args, **kwargs)
Overloaded function.
1. get_self_weak_ptr(rosetta.protocols.moves.Mover) -> rosetta.std.weak_ptr_const_protocols_moves_Mover_t
2. get_self_weak_ptr(rosetta.protocols.moves.Mover) -> rosetta.std.weak_ptr_protocols_moves_Mover_t
- get_type(...) from builtins.PyCapsule
- get_type(rosetta.protocols.moves.Mover) -> str
- info(...) from builtins.PyCapsule
- info(*args, **kwargs)
Overloaded function.
1. info(rosetta.protocols.moves.Mover) -> rosetta.std.list_std_string_std_allocator_std_string_t
non-const accessor
2. info(rosetta.protocols.moves.Mover) -> rosetta.std.list_std_string_std_allocator_std_string_t
const accessor
- last_proposal_density_ratio(...) from builtins.PyCapsule
- last_proposal_density_ratio(rosetta.protocols.moves.Mover) -> float
- name(...) from builtins.PyCapsule
- name() -> str
- reinitialize_for_each_job(...) from builtins.PyCapsule
- reinitialize_for_each_job(rosetta.protocols.moves.Mover) -> bool
Inform the Job Distributor (August '08 vintage) whether this object needs to be freshly regenerated on
each use.
- reinitialize_for_new_input(...) from builtins.PyCapsule
- reinitialize_for_new_input(rosetta.protocols.moves.Mover) -> bool
Inform the Job Distributor (August '08 vintage) whether this object needs to be regenerated when the input
pose is about to change, (for example, if the Mover has special code on the first apply() that is only valid for
that one input pose).
- reset_status(...) from builtins.PyCapsule
- reset_status(rosetta.protocols.moves.Mover) -> NoneType
resets status to SUCCESS, meant to be used before an apply(). The job distributor (august 08 vintage) uses this to ensure non-accumulation of status across apply()s.
- set_current_job(...) from builtins.PyCapsule
- set_current_job(self : rosetta.protocols.moves.Mover, job : protocols::jobdist::BasicJob) -> NoneType
////////////////////////////end Job Distributor interface////////////////////////////////////////
- set_current_tag(...) from builtins.PyCapsule
- set_current_tag(self : rosetta.protocols.moves.Mover, new_tag : str) -> NoneType
- set_input_pose(...) from builtins.PyCapsule
- set_input_pose(self : rosetta.protocols.moves.Mover, pose : rosetta.core.pose.Pose) -> NoneType
setter for poses contained for rms
- set_native_pose(...) from builtins.PyCapsule
- set_native_pose(self : rosetta.protocols.moves.Mover, pose : rosetta.core.pose.Pose) -> NoneType
setter for native poses contained for rms ---- we should get rid of this method? it is widely used, but a bit unsafe
- set_type(...) from builtins.PyCapsule
- set_type(self : rosetta.protocols.moves.Mover, setting : str) -> NoneType
- test_move(...) from builtins.PyCapsule
- test_move(self : rosetta.protocols.moves.Mover, pose : rosetta.core.pose.Pose) -> NoneType
: Unit test support function. Apply one move to a given pose.
Allows extra test specific functions to be called before applying
- type(...) from builtins.PyCapsule
- type(*args, **kwargs)
Overloaded function.
1. type(rosetta.protocols.moves.Mover) -> str
2. type(self : rosetta.protocols.moves.Mover, type_in : str) -> NoneType
|
class PairingStatEntry(builtins.object) |
| |
Methods defined here:
- __eq__(...) from builtins.PyCapsule
- __eq__(self : rosetta.protocols.abinitio.PairingStatEntry, other : rosetta.protocols.abinitio.PairingStatEntry) -> bool
- __init__(...) from builtins.PyCapsule
- __init__(*args, **kwargs)
Overloaded function.
1. __init__(rosetta.protocols.abinitio.PairingStatEntry) -> NoneType
2. __init__(self : rosetta.protocols.abinitio.PairingStatEntry, strand : rosetta.core.scoring.dssp.StrandPairing, id : str) -> NoneType
3. __init__(self : rosetta.protocols.abinitio.PairingStatEntry, : rosetta.protocols.abinitio.PairingStatEntry) -> NoneType
- __ne__(...) from builtins.PyCapsule
- __ne__(self : rosetta.protocols.abinitio.PairingStatEntry, other : rosetta.protocols.abinitio.PairingStatEntry) -> bool
- __new__(*args, **kwargs) from builtins.type
- Create and return a new object. See help(type) for accurate signature.
- __str__(...) from builtins.PyCapsule
- __str__(rosetta.protocols.abinitio.PairingStatEntry) -> str
- add_pairing(...) from builtins.PyCapsule
- add_pairing(self : rosetta.protocols.abinitio.PairingStatEntry, : rosetta.core.scoring.dssp.StrandPairing, : str) -> bool
- compatible(...) from builtins.PyCapsule
- compatible(self : rosetta.protocols.abinitio.PairingStatEntry, : rosetta.core.scoring.dssp.StrandPairing) -> bool
- contact_order(...) from builtins.PyCapsule
- contact_order(rosetta.protocols.abinitio.PairingStatEntry) -> int
- frequency(...) from builtins.PyCapsule
- frequency(rosetta.protocols.abinitio.PairingStatEntry) -> int
- has_model(...) from builtins.PyCapsule
- has_model(self : rosetta.protocols.abinitio.PairingStatEntry, : str) -> bool
- models(...) from builtins.PyCapsule
- models(*args, **kwargs)
Overloaded function.
1. models(rosetta.protocols.abinitio.PairingStatEntry) -> rosetta.utility.vector1_std_string
2. models(rosetta.protocols.abinitio.PairingStatEntry) -> rosetta.utility.vector1_std_string
- pairing(...) from builtins.PyCapsule
- pairing(rosetta.protocols.abinitio.PairingStatEntry) -> rosetta.core.scoring.dssp.StrandPairing
- set_weight(...) from builtins.PyCapsule
- set_weight(self : rosetta.protocols.abinitio.PairingStatEntry, setting : float) -> NoneType
- size(...) from builtins.PyCapsule
- size(rosetta.protocols.abinitio.PairingStatEntry) -> int
- weight(...) from builtins.PyCapsule
- weight(rosetta.protocols.abinitio.PairingStatEntry) -> float
|
class PairingStatistics(builtins.object) |
| |
Methods defined here:
- __init__(...) from builtins.PyCapsule
- __init__(*args, **kwargs)
Overloaded function.
1. __init__(rosetta.protocols.abinitio.PairingStatistics) -> NoneType
2. __init__(self : rosetta.protocols.abinitio.PairingStatistics, templates : protocols::abinitio::Templates) -> NoneType
3. __init__(self : rosetta.protocols.abinitio.PairingStatistics, topology : rosetta.core.scoring.dssp.StrandPairingSet) -> NoneType
- __new__(*args, **kwargs) from builtins.type
- Create and return a new object. See help(type) for accurate signature.
- __str__(...) from builtins.PyCapsule
- __str__(rosetta.protocols.abinitio.PairingStatistics) -> str
- add_entry(...) from builtins.PyCapsule
- add_entry(self : rosetta.protocols.abinitio.PairingStatistics, ps : rosetta.core.scoring.dssp.StrandPairing, id : str) -> NoneType
- add_topology(...) from builtins.PyCapsule
- add_topology(self : rosetta.protocols.abinitio.PairingStatistics, topology : rosetta.core.scoring.dssp.StrandPairingSet, id : str) -> NoneType
- assign(...) from builtins.PyCapsule
- assign(self : rosetta.protocols.abinitio.PairingStatistics, : rosetta.protocols.abinitio.PairingStatistics) -> rosetta.protocols.abinitio.PairingStatistics
- compute_model_weights(...) from builtins.PyCapsule
- compute_model_weights(self : rosetta.protocols.abinitio.PairingStatistics, : rosetta.std.map_std_string_unsigned_long) -> NoneType
- get_native_topology(...) from builtins.PyCapsule
- get_native_topology(rosetta.protocols.abinitio.PairingStatistics) -> rosetta.core.scoring.dssp.StrandPairingSet
- is_native_pairing(...) from builtins.PyCapsule
- is_native_pairing(self : rosetta.protocols.abinitio.PairingStatistics, pairing : rosetta.core.scoring.dssp.StrandPairing) -> bool
- nr_models(...) from builtins.PyCapsule
- nr_models(rosetta.protocols.abinitio.PairingStatistics) -> int
- ranked_model(...) from builtins.PyCapsule
- ranked_model(self : rosetta.protocols.abinitio.PairingStatistics, nr : int) -> str
- register_options(...) from builtins.PyCapsule
- register_options() -> NoneType
- set_native_topology(...) from builtins.PyCapsule
- set_native_topology(self : rosetta.protocols.abinitio.PairingStatistics, topology : rosetta.core.scoring.dssp.StrandPairingSet) -> NoneType
- strand_weight(...) from builtins.PyCapsule
- strand_weight(self : rosetta.protocols.abinitio.PairingStatistics, pairing : rosetta.core.scoring.dssp.StrandPairing) -> float
- suggest_topology(...) from builtins.PyCapsule
- suggest_topology(self : rosetta.protocols.abinitio.PairingStatistics, topol_id : str) -> rosetta.core.scoring.dssp.StrandPairingSet
- topology(...) from builtins.PyCapsule
- topology(self : rosetta.protocols.abinitio.PairingStatistics, id : str) -> rosetta.core.scoring.dssp.StrandPairingSet
- weight(...) from builtins.PyCapsule
- weight(*args, **kwargs)
Overloaded function.
1. weight(self : rosetta.protocols.abinitio.PairingStatistics, nr : int) -> float
2. weight(self : rosetta.protocols.abinitio.PairingStatistics, id : str) -> float
|
class Protocol(rosetta.protocols.moves.Mover) |
| |
- Method resolution order:
- Protocol
- rosetta.protocols.moves.Mover
- builtins.object
Methods defined here:
- __init__(...) from builtins.PyCapsule
- __init__(*args, **kwargs)
Overloaded function.
1. __init__(handle) -> NoneType
2. __init__(handle, rosetta.protocols.abinitio.Protocol) -> NoneType
- __new__(*args, **kwargs) from builtins.type
- Create and return a new object. See help(type) for accurate signature.
- add_evaluation(...) from builtins.PyCapsule
- add_evaluation(self : rosetta.protocols.abinitio.Protocol, ev : rosetta.protocols.evaluation.PoseEvaluator) -> NoneType
- apply(...) from builtins.PyCapsule
- apply(self : rosetta.protocols.abinitio.Protocol, : rosetta.core.pose.Pose) -> NoneType
- assign(...) from builtins.PyCapsule
- assign(self : rosetta.protocols.abinitio.Protocol, : rosetta.protocols.abinitio.Protocol) -> rosetta.protocols.abinitio.Protocol
- centroid_scorefxn(...) from builtins.PyCapsule
- centroid_scorefxn(rosetta.protocols.abinitio.Protocol) -> rosetta.core.scoring.ScoreFunction
- evaluate_pose(...) from builtins.PyCapsule
- evaluate_pose(self : rosetta.protocols.abinitio.Protocol, pose : rosetta.core.pose.Pose, tag : str, pss : rosetta.core.io.silent.SilentStruct) -> NoneType
- evaluator(...) from builtins.PyCapsule
- evaluator(rosetta.protocols.abinitio.Protocol) -> rosetta.protocols.evaluation.MetaPoseEvaluator
- fullatom_scorefxn(...) from builtins.PyCapsule
- fullatom_scorefxn(rosetta.protocols.abinitio.Protocol) -> rosetta.core.scoring.ScoreFunction
- get_checkpoints(...) from builtins.PyCapsule
- get_checkpoints(rosetta.protocols.abinitio.Protocol) -> rosetta.protocols.checkpoint.CheckPointer
- get_name(...) from builtins.PyCapsule
- get_name(rosetta.protocols.abinitio.Protocol) -> str
- init(...) from builtins.PyCapsule
- init(self : rosetta.protocols.abinitio.Protocol, : rosetta.core.pose.Pose) -> NoneType
- kinematics(...) from builtins.PyCapsule
- kinematics(rosetta.protocols.abinitio.Protocol) -> rosetta.protocols.abinitio.KinematicControl
- output_debug_structure(...) from builtins.PyCapsule
- output_debug_structure(self : rosetta.protocols.abinitio.Protocol, pose : rosetta.core.pose.Pose, prefix : str) -> NoneType
- register_options(...) from builtins.PyCapsule
- register_options(*args, **kwargs)
Overloaded function.
1. register_options() -> NoneType
Overload this static method if you access options within the mover.
These options will end up in -help of your application if users of this mover call register_options.
Do this recursively!
If you use movers within your mover, call their register_options in your register_options() method.
2. register_options() -> NoneType
3. register_options() -> NoneType
4. register_options() -> NoneType
5. register_options() -> NoneType
6. register_options() -> NoneType
7. register_options() -> NoneType
8. register_options() -> NoneType
9. register_options() -> NoneType
Associates relevant options with the AntibodyModeler class
10. register_options() -> NoneType
Associates relevant options with the AntibodyModeler class
11. register_options() -> NoneType
Associates relevant options with the SnugDock class
12. register_options() -> NoneType
Associates relevant options with the SnugDockProtocol class
13. register_options() -> NoneType
Register the options used by this mover with the global options
system.
14. register_options() -> NoneType
15. register_options() -> NoneType
Associate relevant options with the TemperedDocking class.
16. register_options() -> NoneType
17. register_options() -> NoneType
18. register_options() -> NoneType
Associates relevant options with the TemperedDocking class.
19. register_options() -> NoneType
20. register_options() -> NoneType
Associates relevant options with the ConstraintSetMover class
21. register_options() -> NoneType
22. register_options() -> NoneType
Associates relevant options with the DockingInitialPerturbation class
23. register_options() -> NoneType
Associates relevant options with the DockingProtocol class
24. register_options() -> NoneType
Associates relevant options with the TemperedDocking class
25. register_options() -> NoneType
26. register_options() -> NoneType
27. register_options() -> NoneType
28. register_options() -> NoneType
register options
29. register_options() -> NoneType
30. register_options() -> NoneType
Registers applicable options
31. register_options() -> NoneType
Register options with the option system.
32. register_options() -> NoneType
33. register_options() -> NoneType
34. register_options() -> NoneType
Associates relevant options with the LoopRefineInnerCycle class
35. register_options() -> NoneType
Associates relevant options with the LoopRefineInnerCycleContainer class
36. register_options() -> NoneType
Associates relevant options with the LoopRefineInnerCycle class
37. register_options() -> NoneType
Associates relevant options with the LoopRefineInnerCycle class
38. register_options() -> NoneType
39. register_options() -> NoneType
Register options with the option system.
40. register_options() -> NoneType
- return_centroid(...) from builtins.PyCapsule
- return_centroid(*args, **kwargs)
Overloaded function.
1. return_centroid(rosetta.protocols.abinitio.Protocol) -> bool
2. return_centroid(self : rosetta.protocols.abinitio.Protocol, setting : bool) -> NoneType
- set_centroid_scorefxn(...) from builtins.PyCapsule
- set_centroid_scorefxn(self : rosetta.protocols.abinitio.Protocol, sfxn : rosetta.core.scoring.ScoreFunction) -> NoneType
- set_evaluation(...) from builtins.PyCapsule
- set_evaluation(self : rosetta.protocols.abinitio.Protocol, ev : rosetta.protocols.evaluation.MetaPoseEvaluator) -> NoneType
- set_fullatom_scorefxn(...) from builtins.PyCapsule
- set_fullatom_scorefxn(self : rosetta.protocols.abinitio.Protocol, sfxn : rosetta.core.scoring.ScoreFunction) -> NoneType
- set_kinematics(...) from builtins.PyCapsule
- set_kinematics(self : rosetta.protocols.abinitio.Protocol, kc : rosetta.protocols.abinitio.KinematicControl) -> NoneType
- set_silentout_file_name(...) from builtins.PyCapsule
- set_silentout_file_name(self : rosetta.protocols.abinitio.Protocol, str : str) -> NoneType
- start_from_centroid(...) from builtins.PyCapsule
- start_from_centroid(rosetta.protocols.abinitio.Protocol) -> bool
Methods inherited from rosetta.protocols.moves.Mover:
- clear_info(...) from builtins.PyCapsule
- clear_info(rosetta.protocols.moves.Mover) -> NoneType
Strings container can be used to return miscellaneous info (as std::string) from a mover, such as notes about the results of apply(). The job distributor (Apr 09 vintage) will check this function to see if your protocol wants to add string info to the Job that ran this mover. One way this can be useful is that later, a JobOutputter may include/append this info to an output file.
clear_info is called by jd2 before calling apply
- clone(...) from builtins.PyCapsule
- clone(rosetta.protocols.moves.Mover) -> rosetta.protocols.moves.Mover
Return a clone of the Mover object.
- create(...) from builtins.PyCapsule
- create(rosetta.protocols.moves.Mover) -> rosetta.protocols.moves.Mover
- fresh_instance(...) from builtins.PyCapsule
- fresh_instance(rosetta.protocols.moves.Mover) -> rosetta.protocols.moves.Mover
Generates a new Mover object freshly created with the default ctor.
- get_additional_output(...) from builtins.PyCapsule
- get_additional_output(rosetta.protocols.moves.Mover) -> rosetta.core.pose.Pose
fpd
Mechanism by which a mover may return multiple output poses from a single input pose.
- get_current_job(...) from builtins.PyCapsule
- get_current_job(rosetta.protocols.moves.Mover) -> protocols::jobdist::BasicJob
- get_current_tag(...) from builtins.PyCapsule
- get_current_tag(rosetta.protocols.moves.Mover) -> str
A tag is a unique identifier used to identify structures produced
by this Mover. get_current_tag() returns the tag, and set_current_tag( std::string tag )
sets the tag. This functionality is not intended for use with the 2008 job distributor.
- get_input_pose(...) from builtins.PyCapsule
- get_input_pose(rosetta.protocols.moves.Mover) -> rosetta.core.pose.Pose
- get_last_move_status(...) from builtins.PyCapsule
- get_last_move_status(rosetta.protocols.moves.Mover) -> rosetta.protocols.moves.MoverStatus
returns status after an apply(). The job distributor (august 08 vintage) will check this function to see if your protocol wants to filter its results - if your protocol wants to say "that run was no good, skip it" then use the protected last_move_status(MoverStatus) to change the value that this function will return.
- get_native_pose(...) from builtins.PyCapsule
- get_native_pose(rosetta.protocols.moves.Mover) -> rosetta.core.pose.Pose
- get_self_ptr(...) from builtins.PyCapsule
- get_self_ptr(*args, **kwargs)
Overloaded function.
1. get_self_ptr(rosetta.protocols.moves.Mover) -> rosetta.protocols.moves.Mover
2. get_self_ptr(rosetta.protocols.moves.Mover) -> rosetta.protocols.moves.Mover
- get_self_weak_ptr(...) from builtins.PyCapsule
- get_self_weak_ptr(*args, **kwargs)
Overloaded function.
1. get_self_weak_ptr(rosetta.protocols.moves.Mover) -> rosetta.std.weak_ptr_const_protocols_moves_Mover_t
2. get_self_weak_ptr(rosetta.protocols.moves.Mover) -> rosetta.std.weak_ptr_protocols_moves_Mover_t
- get_type(...) from builtins.PyCapsule
- get_type(rosetta.protocols.moves.Mover) -> str
- info(...) from builtins.PyCapsule
- info(*args, **kwargs)
Overloaded function.
1. info(rosetta.protocols.moves.Mover) -> rosetta.std.list_std_string_std_allocator_std_string_t
non-const accessor
2. info(rosetta.protocols.moves.Mover) -> rosetta.std.list_std_string_std_allocator_std_string_t
const accessor
- last_proposal_density_ratio(...) from builtins.PyCapsule
- last_proposal_density_ratio(rosetta.protocols.moves.Mover) -> float
- name(...) from builtins.PyCapsule
- name() -> str
- reinitialize_for_each_job(...) from builtins.PyCapsule
- reinitialize_for_each_job(rosetta.protocols.moves.Mover) -> bool
Inform the Job Distributor (August '08 vintage) whether this object needs to be freshly regenerated on
each use.
- reinitialize_for_new_input(...) from builtins.PyCapsule
- reinitialize_for_new_input(rosetta.protocols.moves.Mover) -> bool
Inform the Job Distributor (August '08 vintage) whether this object needs to be regenerated when the input
pose is about to change, (for example, if the Mover has special code on the first apply() that is only valid for
that one input pose).
- reset_status(...) from builtins.PyCapsule
- reset_status(rosetta.protocols.moves.Mover) -> NoneType
resets status to SUCCESS, meant to be used before an apply(). The job distributor (august 08 vintage) uses this to ensure non-accumulation of status across apply()s.
- set_current_job(...) from builtins.PyCapsule
- set_current_job(self : rosetta.protocols.moves.Mover, job : protocols::jobdist::BasicJob) -> NoneType
////////////////////////////end Job Distributor interface////////////////////////////////////////
- set_current_tag(...) from builtins.PyCapsule
- set_current_tag(self : rosetta.protocols.moves.Mover, new_tag : str) -> NoneType
- set_input_pose(...) from builtins.PyCapsule
- set_input_pose(self : rosetta.protocols.moves.Mover, pose : rosetta.core.pose.Pose) -> NoneType
setter for poses contained for rms
- set_native_pose(...) from builtins.PyCapsule
- set_native_pose(self : rosetta.protocols.moves.Mover, pose : rosetta.core.pose.Pose) -> NoneType
setter for native poses contained for rms ---- we should get rid of this method? it is widely used, but a bit unsafe
- set_type(...) from builtins.PyCapsule
- set_type(self : rosetta.protocols.moves.Mover, setting : str) -> NoneType
- test_move(...) from builtins.PyCapsule
- test_move(self : rosetta.protocols.moves.Mover, pose : rosetta.core.pose.Pose) -> NoneType
: Unit test support function. Apply one move to a given pose.
Allows extra test specific functions to be called before applying
- type(...) from builtins.PyCapsule
- type(*args, **kwargs)
Overloaded function.
1. type(rosetta.protocols.moves.Mover) -> str
2. type(self : rosetta.protocols.moves.Mover, type_in : str) -> NoneType
|
class ResolutionSwitcher(rosetta.protocols.moves.Mover) |
| |
- Method resolution order:
- ResolutionSwitcher
- rosetta.protocols.moves.Mover
- builtins.object
Methods defined here:
- __init__(...) from builtins.PyCapsule
- __init__(*args, **kwargs)
Overloaded function.
1. __init__(self : handle, : rosetta.core.pose.Pose, fullatom : bool, start_centroid : bool, apply_to_centroid : bool) -> NoneType
2. __init__(handle, rosetta.protocols.abinitio.ResolutionSwitcher) -> NoneType
- __new__(*args, **kwargs) from builtins.type
- Create and return a new object. See help(type) for accurate signature.
- apply(...) from builtins.PyCapsule
- apply(self : rosetta.protocols.abinitio.ResolutionSwitcher, : rosetta.core.pose.Pose) -> NoneType
- assign(...) from builtins.PyCapsule
- assign(self : rosetta.protocols.abinitio.ResolutionSwitcher, : rosetta.protocols.abinitio.ResolutionSwitcher) -> rosetta.protocols.abinitio.ResolutionSwitcher
- get_name(...) from builtins.PyCapsule
- get_name(rosetta.protocols.abinitio.ResolutionSwitcher) -> str
- init_pose(...) from builtins.PyCapsule
- init_pose(*args, **kwargs)
Overloaded function.
1. init_pose(rosetta.protocols.abinitio.ResolutionSwitcher) -> rosetta.core.pose.Pose
2. init_pose(rosetta.protocols.abinitio.ResolutionSwitcher) -> rosetta.core.pose.Pose
- set_map_cst_from_centroid_to_fa(...) from builtins.PyCapsule
- set_map_cst_from_centroid_to_fa(self : rosetta.protocols.abinitio.ResolutionSwitcher, setting : bool) -> NoneType
- set_scorefxn(...) from builtins.PyCapsule
- set_scorefxn(self : rosetta.protocols.abinitio.ResolutionSwitcher, scorefxn_fa : rosetta.core.scoring.ScoreFunction) -> NoneType
- start_pose(...) from builtins.PyCapsule
- start_pose(rosetta.protocols.abinitio.ResolutionSwitcher) -> rosetta.core.pose.Pose
Methods inherited from rosetta.protocols.moves.Mover:
- clear_info(...) from builtins.PyCapsule
- clear_info(rosetta.protocols.moves.Mover) -> NoneType
Strings container can be used to return miscellaneous info (as std::string) from a mover, such as notes about the results of apply(). The job distributor (Apr 09 vintage) will check this function to see if your protocol wants to add string info to the Job that ran this mover. One way this can be useful is that later, a JobOutputter may include/append this info to an output file.
clear_info is called by jd2 before calling apply
- clone(...) from builtins.PyCapsule
- clone(rosetta.protocols.moves.Mover) -> rosetta.protocols.moves.Mover
Return a clone of the Mover object.
- create(...) from builtins.PyCapsule
- create(rosetta.protocols.moves.Mover) -> rosetta.protocols.moves.Mover
- fresh_instance(...) from builtins.PyCapsule
- fresh_instance(rosetta.protocols.moves.Mover) -> rosetta.protocols.moves.Mover
Generates a new Mover object freshly created with the default ctor.
- get_additional_output(...) from builtins.PyCapsule
- get_additional_output(rosetta.protocols.moves.Mover) -> rosetta.core.pose.Pose
fpd
Mechanism by which a mover may return multiple output poses from a single input pose.
- get_current_job(...) from builtins.PyCapsule
- get_current_job(rosetta.protocols.moves.Mover) -> protocols::jobdist::BasicJob
- get_current_tag(...) from builtins.PyCapsule
- get_current_tag(rosetta.protocols.moves.Mover) -> str
A tag is a unique identifier used to identify structures produced
by this Mover. get_current_tag() returns the tag, and set_current_tag( std::string tag )
sets the tag. This functionality is not intended for use with the 2008 job distributor.
- get_input_pose(...) from builtins.PyCapsule
- get_input_pose(rosetta.protocols.moves.Mover) -> rosetta.core.pose.Pose
- get_last_move_status(...) from builtins.PyCapsule
- get_last_move_status(rosetta.protocols.moves.Mover) -> rosetta.protocols.moves.MoverStatus
returns status after an apply(). The job distributor (august 08 vintage) will check this function to see if your protocol wants to filter its results - if your protocol wants to say "that run was no good, skip it" then use the protected last_move_status(MoverStatus) to change the value that this function will return.
- get_native_pose(...) from builtins.PyCapsule
- get_native_pose(rosetta.protocols.moves.Mover) -> rosetta.core.pose.Pose
- get_self_ptr(...) from builtins.PyCapsule
- get_self_ptr(*args, **kwargs)
Overloaded function.
1. get_self_ptr(rosetta.protocols.moves.Mover) -> rosetta.protocols.moves.Mover
2. get_self_ptr(rosetta.protocols.moves.Mover) -> rosetta.protocols.moves.Mover
- get_self_weak_ptr(...) from builtins.PyCapsule
- get_self_weak_ptr(*args, **kwargs)
Overloaded function.
1. get_self_weak_ptr(rosetta.protocols.moves.Mover) -> rosetta.std.weak_ptr_const_protocols_moves_Mover_t
2. get_self_weak_ptr(rosetta.protocols.moves.Mover) -> rosetta.std.weak_ptr_protocols_moves_Mover_t
- get_type(...) from builtins.PyCapsule
- get_type(rosetta.protocols.moves.Mover) -> str
- info(...) from builtins.PyCapsule
- info(*args, **kwargs)
Overloaded function.
1. info(rosetta.protocols.moves.Mover) -> rosetta.std.list_std_string_std_allocator_std_string_t
non-const accessor
2. info(rosetta.protocols.moves.Mover) -> rosetta.std.list_std_string_std_allocator_std_string_t
const accessor
- last_proposal_density_ratio(...) from builtins.PyCapsule
- last_proposal_density_ratio(rosetta.protocols.moves.Mover) -> float
- name(...) from builtins.PyCapsule
- name() -> str
- register_options(...) from builtins.PyCapsule
- register_options(*args, **kwargs)
Overloaded function.
1. register_options() -> NoneType
Overload this static method if you access options within the mover.
These options will end up in -help of your application if users of this mover call register_options.
Do this recursively!
If you use movers within your mover, call their register_options in your register_options() method.
2. register_options() -> NoneType
3. register_options() -> NoneType
4. register_options() -> NoneType
5. register_options() -> NoneType
6. register_options() -> NoneType
7. register_options() -> NoneType
8. register_options() -> NoneType
9. register_options() -> NoneType
Associates relevant options with the AntibodyModeler class
10. register_options() -> NoneType
Associates relevant options with the AntibodyModeler class
11. register_options() -> NoneType
Associates relevant options with the SnugDock class
12. register_options() -> NoneType
Associates relevant options with the SnugDockProtocol class
13. register_options() -> NoneType
Register the options used by this mover with the global options
system.
14. register_options() -> NoneType
15. register_options() -> NoneType
Associate relevant options with the TemperedDocking class.
16. register_options() -> NoneType
17. register_options() -> NoneType
18. register_options() -> NoneType
Associates relevant options with the TemperedDocking class.
19. register_options() -> NoneType
20. register_options() -> NoneType
Associates relevant options with the ConstraintSetMover class
21. register_options() -> NoneType
22. register_options() -> NoneType
Associates relevant options with the DockingInitialPerturbation class
23. register_options() -> NoneType
Associates relevant options with the DockingProtocol class
24. register_options() -> NoneType
Associates relevant options with the TemperedDocking class
25. register_options() -> NoneType
26. register_options() -> NoneType
27. register_options() -> NoneType
28. register_options() -> NoneType
register options
29. register_options() -> NoneType
30. register_options() -> NoneType
Registers applicable options
31. register_options() -> NoneType
Register options with the option system.
32. register_options() -> NoneType
33. register_options() -> NoneType
34. register_options() -> NoneType
Associates relevant options with the LoopRefineInnerCycle class
35. register_options() -> NoneType
Associates relevant options with the LoopRefineInnerCycleContainer class
36. register_options() -> NoneType
Associates relevant options with the LoopRefineInnerCycle class
37. register_options() -> NoneType
Associates relevant options with the LoopRefineInnerCycle class
38. register_options() -> NoneType
39. register_options() -> NoneType
Register options with the option system.
40. register_options() -> NoneType
- reinitialize_for_each_job(...) from builtins.PyCapsule
- reinitialize_for_each_job(rosetta.protocols.moves.Mover) -> bool
Inform the Job Distributor (August '08 vintage) whether this object needs to be freshly regenerated on
each use.
- reinitialize_for_new_input(...) from builtins.PyCapsule
- reinitialize_for_new_input(rosetta.protocols.moves.Mover) -> bool
Inform the Job Distributor (August '08 vintage) whether this object needs to be regenerated when the input
pose is about to change, (for example, if the Mover has special code on the first apply() that is only valid for
that one input pose).
- reset_status(...) from builtins.PyCapsule
- reset_status(rosetta.protocols.moves.Mover) -> NoneType
resets status to SUCCESS, meant to be used before an apply(). The job distributor (august 08 vintage) uses this to ensure non-accumulation of status across apply()s.
- set_current_job(...) from builtins.PyCapsule
- set_current_job(self : rosetta.protocols.moves.Mover, job : protocols::jobdist::BasicJob) -> NoneType
////////////////////////////end Job Distributor interface////////////////////////////////////////
- set_current_tag(...) from builtins.PyCapsule
- set_current_tag(self : rosetta.protocols.moves.Mover, new_tag : str) -> NoneType
- set_input_pose(...) from builtins.PyCapsule
- set_input_pose(self : rosetta.protocols.moves.Mover, pose : rosetta.core.pose.Pose) -> NoneType
setter for poses contained for rms
- set_native_pose(...) from builtins.PyCapsule
- set_native_pose(self : rosetta.protocols.moves.Mover, pose : rosetta.core.pose.Pose) -> NoneType
setter for native poses contained for rms ---- we should get rid of this method? it is widely used, but a bit unsafe
- set_type(...) from builtins.PyCapsule
- set_type(self : rosetta.protocols.moves.Mover, setting : str) -> NoneType
- test_move(...) from builtins.PyCapsule
- test_move(self : rosetta.protocols.moves.Mover, pose : rosetta.core.pose.Pose) -> NoneType
: Unit test support function. Apply one move to a given pose.
Allows extra test specific functions to be called before applying
- type(...) from builtins.PyCapsule
- type(*args, **kwargs)
Overloaded function.
1. type(rosetta.protocols.moves.Mover) -> str
2. type(self : rosetta.protocols.moves.Mover, type_in : str) -> NoneType
|
class StageID(builtins.object) |
| |
Methods defined here:
- __eq__(...) from builtins.PyCapsule
- __eq__(rosetta.protocols.abinitio.StageID, rosetta.protocols.abinitio.StageID) -> bool
- __hash__(...) from builtins.PyCapsule
- __hash__(rosetta.protocols.abinitio.StageID) -> int
- __init__(...) from builtins.PyCapsule
- __init__(*args, **kwargs)
Overloaded function.
1. __init__(rosetta.protocols.abinitio.StageID, int) -> NoneType
2. __init__(rosetta.protocols.abinitio.StageID, int) -> NoneType
- __int__(...) from builtins.PyCapsule
- __int__(rosetta.protocols.abinitio.StageID) -> int
- __ne__(...) from builtins.PyCapsule
- __ne__(rosetta.protocols.abinitio.StageID, rosetta.protocols.abinitio.StageID) -> bool
- __new__(*args, **kwargs) from builtins.type
- Create and return a new object. See help(type) for accurate signature.
- __repr__(...) from builtins.PyCapsule
- __repr__(rosetta.protocols.abinitio.StageID) -> str
Data and other attributes defined here:
- ALL_STAGES = StageID.ALL_STAGES
- END_ABINITIO = StageID.END_ABINITIO
- LAST_STAGE = StageID.LAST_STAGE
- LOOP_CLOSURE = StageID.LOOP_CLOSURE
- RELAX = StageID.RELAX
- STAGE_1 = StageID.STAGE_1
- STAGE_2 = StageID.STAGE_2
- STAGE_3 = StageID.STAGE_3
- STAGE_3a = StageID.STAGE_3a
- STAGE_3b = StageID.STAGE_3b
- STAGE_4 = StageID.STAGE_4
- SWITCH_TO_FULLATOM = StageID.SWITCH_TO_FULLATOM
|
class Template(builtins.object) |
| |
Methods defined here:
- __init__(...) from builtins.PyCapsule
- __init__(*args, **kwargs)
Overloaded function.
1. __init__(self : rosetta.protocols.abinitio.Template, name : str, : rosetta.core.pose.Pose, mapping : rosetta.core.sequence.DerivedSequenceMapping) -> NoneType
2. __init__(self : rosetta.protocols.abinitio.Template, name : str, : rosetta.core.pose.Pose, map_file : str, offset : int, score : float) -> NoneType
3. __init__(self : rosetta.protocols.abinitio.Template, : rosetta.protocols.abinitio.Template) -> NoneType
- __new__(*args, **kwargs) from builtins.type
- Create and return a new object. See help(type) for accurate signature.
- assign(...) from builtins.PyCapsule
- assign(self : rosetta.protocols.abinitio.Template, : rosetta.protocols.abinitio.Template) -> rosetta.protocols.abinitio.Template
- constraints(...) from builtins.PyCapsule
- constraints(rosetta.protocols.abinitio.Template) -> rosetta.utility.vector1_std_shared_ptr_core_scoring_constraints_Obsolet_NamedAtomPairConstraint_t
- cull_violators(...) from builtins.PyCapsule
- cull_violators(self : rosetta.protocols.abinitio.Template, target_list : rosetta.utility.vector1_std_shared_ptr_core_scoring_constraints_Obsolet_NamedAtomPairConstraint_t, culled_list : rosetta.utility.vector1_std_shared_ptr_core_scoring_constraints_Obsolet_NamedAtomPairConstraint_t) -> NoneType
- external_score(...) from builtins.PyCapsule
- external_score(rosetta.protocols.abinitio.Template) -> float
- has_constraints(...) from builtins.PyCapsule
- has_constraints(rosetta.protocols.abinitio.Template) -> bool
- is_good(...) from builtins.PyCapsule
- is_good(rosetta.protocols.abinitio.Template) -> bool
- map2target(...) from builtins.PyCapsule
- map2target(*args, **kwargs)
Overloaded function.
1. map2target(self : rosetta.protocols.abinitio.Template, template_frames : rosetta.core.fragment.FrameList, target_frames : rosetta.core.fragment.FrameList) -> NoneType
2. map2target(self : rosetta.protocols.abinitio.Template, : rosetta.core.fragment.FrameList) -> NoneType
3. map2target(self : rosetta.protocols.abinitio.Template, : rosetta.utility.vector1_std_shared_ptr_core_scoring_constraints_Obsolet_NamedAtomPairConstraint_t, : rosetta.utility.vector1_std_shared_ptr_core_scoring_constraints_Obsolet_NamedAtomPairConstraint_t) -> NoneType
- map2template(...) from builtins.PyCapsule
- map2template(*args, **kwargs)
Overloaded function.
1. map2template(self : rosetta.protocols.abinitio.Template, target_frames : rosetta.core.fragment.FrameList, template_frames : rosetta.core.fragment.FrameList) -> NoneType
2. map2template(self : rosetta.protocols.abinitio.Template, : rosetta.core.fragment.FrameList) -> NoneType
3. map2template(self : rosetta.protocols.abinitio.Template, : rosetta.utility.vector1_std_shared_ptr_core_scoring_constraints_Obsolet_NamedAtomPairConstraint_t, : rosetta.utility.vector1_std_shared_ptr_core_scoring_constraints_Obsolet_NamedAtomPairConstraint_t) -> NoneType
- map_pairings2target(...) from builtins.PyCapsule
- map_pairings2target(self : rosetta.protocols.abinitio.Template, in : rosetta.utility.vector1_core_scoring_dssp_Pairing, out : rosetta.utility.vector1_core_scoring_dssp_Pairing) -> NoneType
- map_pairings2template(...) from builtins.PyCapsule
- map_pairings2template(self : rosetta.protocols.abinitio.Template, in : rosetta.utility.vector1_core_scoring_dssp_Pairing, out : rosetta.utility.vector1_core_scoring_dssp_Pairing) -> NoneType
- name(...) from builtins.PyCapsule
- name(rosetta.protocols.abinitio.Template) -> str
- pick_large_frags(...) from builtins.PyCapsule
- pick_large_frags(*args, **kwargs)
Overloaded function.
1. pick_large_frags(self : rosetta.protocols.abinitio.Template, frag_set : rosetta.core.fragment.FragSet, frag_type : rosetta.core.fragment.SingleResidueFragData) -> int
2. pick_large_frags(self : rosetta.protocols.abinitio.Template, frag_set : rosetta.core.fragment.FragSet, frag_type : rosetta.core.fragment.SingleResidueFragData, ncopies : int) -> int
- query_sequence(...) from builtins.PyCapsule
- query_sequence(rosetta.protocols.abinitio.Template) -> str
- read_constraints(...) from builtins.PyCapsule
- read_constraints(self : rosetta.protocols.abinitio.Template, cst_file : str) -> NoneType
- register_options(...) from builtins.PyCapsule
- register_options() -> NoneType
- steal_frags(...) from builtins.PyCapsule
- steal_frags(*args, **kwargs)
Overloaded function.
1. steal_frags(self : rosetta.protocols.abinitio.Template, target_frames : rosetta.core.fragment.FrameList, accumulator : rosetta.core.fragment.FragSet) -> int
2. steal_frags(self : rosetta.protocols.abinitio.Template, target_frames : rosetta.core.fragment.FrameList, accumulator : rosetta.core.fragment.FragSet, ncopies : int) -> int
- strand_pairings(...) from builtins.PyCapsule
- strand_pairings(rosetta.protocols.abinitio.Template) -> rosetta.core.scoring.dssp.StrandPairingSet
- topology_score(...) from builtins.PyCapsule
- topology_score(*args, **kwargs)
Overloaded function.
1. topology_score(rosetta.protocols.abinitio.Template) -> float
2. topology_score(self : rosetta.protocols.abinitio.Template, setting : float) -> NoneType
|
class TemplateJumpSetup(rosetta.protocols.jumping.BaseJumpSetup) |
| |
- Method resolution order:
- TemplateJumpSetup
- rosetta.protocols.jumping.BaseJumpSetup
- builtins.object
Methods defined here:
- __init__(...) from builtins.PyCapsule
- __init__(self : handle, templates : protocols::abinitio::Templates, secstruct : rosetta.core.fragment.SecondaryStructure, : rosetta.protocols.abinitio.PairingStatistics, helix_pairings : rosetta.utility.vector1_core_scoring_dssp_Pairing) -> NoneType
- __new__(*args, **kwargs) from builtins.type
- Create and return a new object. See help(type) for accurate signature.
- assign(...) from builtins.PyCapsule
- assign(self : rosetta.protocols.abinitio.TemplateJumpSetup, : rosetta.protocols.abinitio.TemplateJumpSetup) -> rosetta.protocols.abinitio.TemplateJumpSetup
- clean_jumps(...) from builtins.PyCapsule
- clean_jumps(self : rosetta.protocols.abinitio.TemplateJumpSetup, : rosetta.protocols.jumping.JumpSample) -> rosetta.protocols.jumping.JumpSample
- create_jump_sample(...) from builtins.PyCapsule
- create_jump_sample(rosetta.protocols.abinitio.TemplateJumpSetup) -> rosetta.protocols.jumping.JumpSample
- generate_jump_frags(...) from builtins.PyCapsule
- generate_jump_frags(self : rosetta.protocols.abinitio.TemplateJumpSetup, : rosetta.protocols.jumping.JumpSample, : rosetta.core.kinematics.MoveMap) -> rosetta.core.fragment.FragSet
returns an ordered FragSet that is compatible with the JumpSample
default: generate jumps from ss-library according to JumpSample
- is_helix_jump(...) from builtins.PyCapsule
- is_helix_jump(self : rosetta.protocols.abinitio.TemplateJumpSetup, p : rosetta.core.scoring.dssp.Pairing) -> bool
- type_name(...) from builtins.PyCapsule
- type_name(rosetta.protocols.abinitio.TemplateJumpSetup) -> str
|
class Templates(builtins.object) |
| |
Methods defined here:
- __init__(...) from builtins.PyCapsule
- __init__(*args, **kwargs)
Overloaded function.
1. __init__(rosetta.protocols.abinitio.Templates, str) -> NoneType
doc
2. __init__(self : rosetta.protocols.abinitio.Templates, config_file : str, native : rosetta.core.pose.Pose) -> NoneType
3. __init__(self : rosetta.protocols.abinitio.Templates, : rosetta.protocols.abinitio.Templates) -> NoneType
- __new__(*args, **kwargs) from builtins.type
- Create and return a new object. See help(type) for accurate signature.
- add_target_constraints(...) from builtins.PyCapsule
- add_target_constraints(self : rosetta.protocols.abinitio.Templates, : rosetta.core.scoring.constraints.ConstraintSet, : rosetta.core.pose.Pose) -> NoneType
- assign(...) from builtins.PyCapsule
- assign(self : rosetta.protocols.abinitio.Templates, : rosetta.protocols.abinitio.Templates) -> rosetta.protocols.abinitio.Templates
- begin(...) from builtins.PyCapsule
- begin(rosetta.protocols.abinitio.Templates) -> std::_Rb_tree_const_iterator<std::pair<std::string const, std::shared_ptr<protocols::abinitio::Template> > >
- create_jump_def(...) from builtins.PyCapsule
- create_jump_def(*args, **kwargs)
Overloaded function.
1. create_jump_def(rosetta.protocols.abinitio.Templates) -> rosetta.protocols.abinitio.TemplateJumpSetup
2. create_jump_def(self : rosetta.protocols.abinitio.Templates, : rosetta.core.fragment.SecondaryStructure) -> rosetta.protocols.abinitio.TemplateJumpSetup
- end(...) from builtins.PyCapsule
- end(rosetta.protocols.abinitio.Templates) -> std::_Rb_tree_const_iterator<std::pair<std::string const, std::shared_ptr<protocols::abinitio::Template> > >
- get_self_ptr(...) from builtins.PyCapsule
- get_self_ptr(*args, **kwargs)
Overloaded function.
1. get_self_ptr(rosetta.protocols.abinitio.Templates) -> rosetta.protocols.abinitio.Templates
2. get_self_ptr(rosetta.protocols.abinitio.Templates) -> rosetta.protocols.abinitio.Templates
- get_self_weak_ptr(...) from builtins.PyCapsule
- get_self_weak_ptr(*args, **kwargs)
Overloaded function.
1. get_self_weak_ptr(rosetta.protocols.abinitio.Templates) -> rosetta.std.weak_ptr_const_protocols_abinitio_Templates_t
2. get_self_weak_ptr(rosetta.protocols.abinitio.Templates) -> rosetta.std.weak_ptr_protocols_abinitio_Templates_t
- get_template(...) from builtins.PyCapsule
- get_template(self : rosetta.protocols.abinitio.Templates, ModelID : str) -> rosetta.protocols.abinitio.Template
- has_pairings(...) from builtins.PyCapsule
- has_pairings(rosetta.protocols.abinitio.Templates) -> bool
- has_template(...) from builtins.PyCapsule
- has_template(self : rosetta.protocols.abinitio.Templates, ModelID : str) -> bool
- helixjump_picks(...) from builtins.PyCapsule
- helixjump_picks(rosetta.protocols.abinitio.Templates) -> rosetta.utility.vector1_std_shared_ptr_const_protocols_abinitio_Template_t
- is_good(...) from builtins.PyCapsule
- is_good(rosetta.protocols.abinitio.Templates) -> bool
- pairings(...) from builtins.PyCapsule
- pairings(rosetta.protocols.abinitio.Templates) -> rosetta.utility.vector1_core_scoring_dssp_Pairing
- pick_frags(...) from builtins.PyCapsule
- pick_frags(*args, **kwargs)
Overloaded function.
1. pick_frags(self : rosetta.protocols.abinitio.Templates, : rosetta.core.fragment.FragSet, frag_type : rosetta.core.fragment.FragData, min_nr_frags : int) -> rosetta.core.fragment.FragSet
2. pick_frags(self : rosetta.protocols.abinitio.Templates, : rosetta.core.fragment.FragSet, frag_type : rosetta.core.fragment.FragData, min_nr_frags : int, ncopies : int) -> rosetta.core.fragment.FragSet
3. pick_frags(self : rosetta.protocols.abinitio.Templates, : rosetta.core.fragment.FragSet, frag_type : rosetta.core.fragment.FragData) -> int
4. pick_frags(self : rosetta.protocols.abinitio.Templates, : rosetta.core.fragment.FragSet, frag_type : rosetta.core.fragment.FragData, ncopies : int) -> int
- pick_large_frags(...) from builtins.PyCapsule
- pick_large_frags(*args, **kwargs)
Overloaded function.
1. pick_large_frags(self : rosetta.protocols.abinitio.Templates, frag_set : rosetta.core.fragment.FragSet, frag_type : rosetta.core.fragment.SingleResidueFragData) -> int
2. pick_large_frags(self : rosetta.protocols.abinitio.Templates, frag_set : rosetta.core.fragment.FragSet, frag_type : rosetta.core.fragment.SingleResidueFragData, ncopies : int) -> int
- read_pairings(...) from builtins.PyCapsule
- read_pairings(self : rosetta.protocols.abinitio.Templates, filename : str, : rosetta.utility.vector1_core_scoring_dssp_Pairing) -> NoneType
- register_options(...) from builtins.PyCapsule
- register_options() -> NoneType
- set_native(...) from builtins.PyCapsule
- set_native(self : rosetta.protocols.abinitio.Templates, native : rosetta.core.pose.Pose) -> NoneType
- strand_pairing_stats(...) from builtins.PyCapsule
- strand_pairing_stats(rosetta.protocols.abinitio.Templates) -> rosetta.protocols.abinitio.PairingStatistics
- target_sequence(...) from builtins.PyCapsule
- target_sequence(*args, **kwargs)
Overloaded function.
1. target_sequence(rosetta.protocols.abinitio.Templates) -> str
2. target_sequence(rosetta.protocols.abinitio.Templates) -> str
- target_total_residue(...) from builtins.PyCapsule
- target_total_residue(rosetta.protocols.abinitio.Templates) -> int
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