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- builtins.object
-
- ChainDirection
- LoopClosure
-
- ShortLoopClosure
- RamaCheckBase
-
- RamaCheck1B
- RamaCheck2B
- SecondaryStructureType
- rosetta.protocols.moves.Mover(builtins.object)
-
- CCDLoopClosureMover
- SlidingWindowLoopClosure
-
- WidthFirstSlidingWindowLoopClosure
-
- FASelectSlidingWindowLoopClosure
- rosetta.protocols.moves.MoverCreator(builtins.object)
-
- CCDLoopClosureMoverCreator
class CCDLoopClosureMover(rosetta.protocols.moves.Mover) |
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Close a loop (protein or otherwise) using bi-directional Cyclic Coordinate Descent
This class was initially a wrapper for fast_ccd_loop_closure(), an exposed method in ccd_closure.cc.
Before using this mover:
1) Set a proper foldtree - usually a regular loop foldtree is used. (see protocols::loops::foldtree_from_loops)
2) Add cutpoint variants to the loop cutpoint
The original description of the CCD algorithm in relation to protein loop closure can be found here:
Canutescu AA, Dunbrack RL Jr: Cyclic coordinate descent: a robotics algorithm for protein loop closure.
Protein Sci 2003, 12:963-972. |
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- Method resolution order:
- CCDLoopClosureMover
- 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.loops.loop_closure.ccd.CCDLoopClosureMover) -> NoneType
3. __init__(self : handle, loop : rosetta.protocols.loops.Loop) -> NoneType
4. __init__(self : handle, loop : rosetta.protocols.loops.Loop, mm : rosetta.core.kinematics.MoveMap) -> 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.loops.loop_closure.ccd.CCDLoopClosureMover) -> str
- actual_cycles(...) from builtins.PyCapsule
- actual_cycles(rosetta.protocols.loops.loop_closure.ccd.CCDLoopClosureMover) -> int
Get the number of cycles used to close the loop.
- apply(...) from builtins.PyCapsule
- apply(self : rosetta.protocols.loops.loop_closure.ccd.CCDLoopClosureMover, pose : rosetta.core.pose.Pose) -> NoneType
Apply the corresponding move to <pose>.
- assign(...) from builtins.PyCapsule
- assign(self : rosetta.protocols.loops.loop_closure.ccd.CCDLoopClosureMover, object_to_copy : rosetta.protocols.loops.loop_closure.ccd.CCDLoopClosureMover) -> rosetta.protocols.loops.loop_closure.ccd.CCDLoopClosureMover
- check_rama_scores(...) from builtins.PyCapsule
- check_rama_scores(*args, **kwargs)
Overloaded function.
1. check_rama_scores(rosetta.protocols.loops.loop_closure.ccd.CCDLoopClosureMover) -> bool
Are closure moves checked using the rama scores and the Metropolis criterion?
2. check_rama_scores(self : rosetta.protocols.loops.loop_closure.ccd.CCDLoopClosureMover, setting : bool) -> NoneType
Set whether or not closure moves are checked using the rama scores and the Metropolis criterion.
- clone(...) from builtins.PyCapsule
- clone(rosetta.protocols.loops.loop_closure.ccd.CCDLoopClosureMover) -> rosetta.protocols.moves.Mover
- deviation(...) from builtins.PyCapsule
- deviation(rosetta.protocols.loops.loop_closure.ccd.CCDLoopClosureMover) -> float
Get the RMS deviation of the target atoms after completion of loop closure.
sqrt( dev / number_of_atoms )
- fresh_instance(...) from builtins.PyCapsule
- fresh_instance(rosetta.protocols.loops.loop_closure.ccd.CCDLoopClosureMover) -> rosetta.protocols.moves.Mover
- get_name(...) from builtins.PyCapsule
- get_name(rosetta.protocols.loops.loop_closure.ccd.CCDLoopClosureMover) -> str
Return the name of the Mover.
- loop(...) from builtins.PyCapsule
- loop(*args, **kwargs)
Overloaded function.
1. loop(rosetta.protocols.loops.loop_closure.ccd.CCDLoopClosureMover) -> rosetta.protocols.loops.Loop
Get the Loop to be closed.
2. loop(self : rosetta.protocols.loops.loop_closure.ccd.CCDLoopClosureMover, new_loop : rosetta.protocols.loops.Loop) -> NoneType
Set the Loop to be closed.
- max_cycles(...) from builtins.PyCapsule
- max_cycles(*args, **kwargs)
Overloaded function.
1. max_cycles(rosetta.protocols.loops.loop_closure.ccd.CCDLoopClosureMover) -> int
Get the maximum number of cycles to attempt if the tolerance is not satisfied.
Each cycle includes both forward and backward directions.
2. max_cycles(self : rosetta.protocols.loops.loop_closure.ccd.CCDLoopClosureMover, input_ccd_cycles : int) -> NoneType
Set the maximum number of cycles to attempt if the tolerance is not satisfied.
Each cycle includes both forward and backward directions.
- max_per_move_torsion_delta_per_residue(...) from builtins.PyCapsule
- max_per_move_torsion_delta_per_residue(*args, **kwargs)
Overloaded function.
1. max_per_move_torsion_delta_per_residue(self : rosetta.protocols.loops.loop_closure.ccd.CCDLoopClosureMover, input_max_delta_helix : float, input_max_delta_strand : float, input_max_delta_coil : float) -> NoneType
Set the maximum change in torsion angle a residue is allowed per closure move for each of the three
secondary structure types.
of parameters is helix, strand, coil. Angles are in degrees.
2. max_per_move_torsion_delta_per_residue(self : rosetta.protocols.loops.loop_closure.ccd.CCDLoopClosureMover, secstruct : rosetta.protocols.loops.loop_closure.ccd.SecondaryStructureType) -> float
Get the maximum change in torsion angle a residue is allowed for a single move for one of the
three secondary structure types.
angle in degrees
3. max_per_move_torsion_delta_per_residue(self : rosetta.protocols.loops.loop_closure.ccd.CCDLoopClosureMover, secstruct : str) -> float
Get the maximum allowed torsion angle deviation for the entire closure run for one of the three
secondary structure types ( H, E, L).
- max_total_torsion_delta_per_residue(...) from builtins.PyCapsule
- max_total_torsion_delta_per_residue(*args, **kwargs)
Overloaded function.
1. max_total_torsion_delta_per_residue(self : rosetta.protocols.loops.loop_closure.ccd.CCDLoopClosureMover, secstruct : rosetta.protocols.loops.loop_closure.ccd.SecondaryStructureType) -> float
Get the maximum change in torsion angle a residue is allowed for the entire closure run for one of the
three secondary structure types.
angle in degrees
2. max_total_torsion_delta_per_residue(self : rosetta.protocols.loops.loop_closure.ccd.CCDLoopClosureMover, secstruct : str) -> float
Get the maximum allowed torsion angle deviation for the entire closure run for one of the three
secondary structure types ( H, E, L).
3. max_total_torsion_delta_per_residue(self : rosetta.protocols.loops.loop_closure.ccd.CCDLoopClosureMover, input_max_delta_helix : float, input_max_delta_strand : float, input_max_delta_coil : float) -> NoneType
Set the maximum change in torsion angle a residue is allowed for the entire closure run for each of
the three secondary structure types.
of parameters is helix, strand, coil. Angles are in degrees.
- movemap(...) from builtins.PyCapsule
- movemap(*args, **kwargs)
Overloaded function.
1. movemap(rosetta.protocols.loops.loop_closure.ccd.CCDLoopClosureMover) -> rosetta.core.kinematics.MoveMap
Get the current MoveMap.
2. movemap(self : rosetta.protocols.loops.loop_closure.ccd.CCDLoopClosureMover, new_movemap : rosetta.core.kinematics.MoveMap) -> NoneType
Set the MoveMap.
Positions outside of the defined loop will be ignored.
- rama(...) from builtins.PyCapsule
- rama(rosetta.protocols.loops.loop_closure.ccd.CCDLoopClosureMover) -> protocols::loops::loop_closure::ccd::RamaCheckBase
Get a pointer to the RamaCheck instance being used.
- rama_delta(...) from builtins.PyCapsule
- rama_delta(rosetta.protocols.loops.loop_closure.ccd.CCDLoopClosureMover) -> float
Get the average change in rama score for the residues in the loop after completion of loop closure.
This value will only be meaningful if the option for checking the rama score is turned on.
Change this name to match the datum. ~Labonte
- 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_verbose(...) from builtins.PyCapsule
- set_verbose(self : rosetta.protocols.loops.loop_closure.ccd.CCDLoopClosureMover, setting : bool) -> NoneType
Set whether or not to output loop start/end points at beginning of Mover apply().
- success(...) from builtins.PyCapsule
- success(rosetta.protocols.loops.loop_closure.ccd.CCDLoopClosureMover) -> bool
Return true if the forward and backward RMS deviations are each lower than the tolerance value.
- tolerance(...) from builtins.PyCapsule
- tolerance(*args, **kwargs)
Overloaded function.
1. tolerance(rosetta.protocols.loops.loop_closure.ccd.CCDLoopClosureMover) -> float
Get the tolerance for loop closure in Angstroms.
A forward and backward splice of RMS over N, CA, and C (or target atoms) must be less than the tolerance for an early
return; otherwise, the algorithm will go through the loop the requested number of cycles.
RMS Deviation is calculation as sqrt( dev / number_of_atoms )
2. tolerance(self : rosetta.protocols.loops.loop_closure.ccd.CCDLoopClosureMover, input_tolerance : float) -> NoneType
Set the tolerance for loop closure in Angstroms.
A forward and backward splice of RMS deviation over N, CA, and C (or target atoms)must be less than the tolerance for
an early return; otherwise, the algorithm will go through the loop the requested number of cycles.
RMS Deviation is calculation as sqrt( dev / number_of_atoms )
- torsion_delta(...) from builtins.PyCapsule
- torsion_delta(rosetta.protocols.loops.loop_closure.ccd.CCDLoopClosureMover) -> float
Get the average change in the main-chain torsion angles of the loop after completion of loop closure.
Change this name to match the datum. ~Labonte
- use_rama_2B(...) from builtins.PyCapsule
- use_rama_2B(*args, **kwargs)
Overloaded function.
1. use_rama_2B(rosetta.protocols.loops.loop_closure.ccd.CCDLoopClosureMover) -> bool
Are two-body (neighbor-dependent) Ramachandran maps being used?
2. use_rama_2B(self : rosetta.protocols.loops.loop_closure.ccd.CCDLoopClosureMover, setting : bool) -> NoneType
Set whether or not two-body (neighbor-dependent) Ramachandran maps should be used.
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
- 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 FASelectSlidingWindowLoopClosure(WidthFirstSlidingWindowLoopClosure) |
| |
- Method resolution order:
- FASelectSlidingWindowLoopClosure
- WidthFirstSlidingWindowLoopClosure
- SlidingWindowLoopClosure
- rosetta.protocols.moves.Mover
- builtins.object
Methods defined here:
- __init__(...) from builtins.PyCapsule
- __init__(*args, **kwargs)
Overloaded function.
1. __init__(self : handle, fragset : rosetta.core.fragment.FragSet, scorefxn : rosetta.core.scoring.ScoreFunction, movemap : rosetta.core.kinematics.MoveMap) -> NoneType
2. __init__(handle) -> NoneType
3. __init__(handle, rosetta.protocols.loops.loop_closure.ccd.FASelectSlidingWindowLoopClosure) -> 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.loops.loop_closure.ccd.FASelectSlidingWindowLoopClosure, : rosetta.protocols.loops.loop_closure.ccd.FASelectSlidingWindowLoopClosure) -> rosetta.protocols.loops.loop_closure.ccd.FASelectSlidingWindowLoopClosure
- fascore(...) from builtins.PyCapsule
- fascore(self : rosetta.protocols.loops.loop_closure.ccd.FASelectSlidingWindowLoopClosure, fa_pose : rosetta.core.pose.Pose) -> float
- get_name(...) from builtins.PyCapsule
- get_name(rosetta.protocols.loops.loop_closure.ccd.FASelectSlidingWindowLoopClosure) -> 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
- select_final_loop(...) from builtins.PyCapsule
- select_final_loop(self : rosetta.protocols.loops.loop_closure.ccd.FASelectSlidingWindowLoopClosure, more_cut : rosetta.core.pose.Pose, less_cut : rosetta.core.pose.Pose) -> NoneType
- set_defaults(...) from builtins.PyCapsule
- set_defaults(rosetta.protocols.loops.loop_closure.ccd.FASelectSlidingWindowLoopClosure) -> NoneType
- set_fullatom_pose(...) from builtins.PyCapsule
- set_fullatom_pose(self : rosetta.protocols.loops.loop_closure.ccd.FASelectSlidingWindowLoopClosure, fa_pose : rosetta.core.pose.Pose) -> NoneType
Methods inherited from WidthFirstSlidingWindowLoopClosure:
- sample_loops(...) from builtins.PyCapsule
- sample_loops(self : rosetta.protocols.loops.loop_closure.ccd.WidthFirstSlidingWindowLoopClosure, more_cut : rosetta.core.pose.Pose, less_cut : rosetta.core.pose.Pose) -> NoneType
Methods inherited from SlidingWindowLoopClosure:
- apply(...) from builtins.PyCapsule
- apply(*args, **kwargs)
Overloaded function.
1. apply(self : rosetta.protocols.loops.loop_closure.ccd.SlidingWindowLoopClosure, more_cut : rosetta.core.pose.Pose, less_cut : rosetta.core.pose.Pose) -> NoneType
2. apply(self : rosetta.protocols.loops.loop_closure.ccd.SlidingWindowLoopClosure, more_cut : rosetta.core.pose.Pose) -> NoneType
- bIdealLoopClosing(...) from builtins.PyCapsule
- bIdealLoopClosing(rosetta.protocols.loops.loop_closure.ccd.SlidingWindowLoopClosure) -> bool
- closure_fragments(...) from builtins.PyCapsule
- closure_fragments(rosetta.protocols.loops.loop_closure.ccd.SlidingWindowLoopClosure) -> rosetta.core.fragment.FragSet
- determine_loop(...) from builtins.PyCapsule
- determine_loop(self : rosetta.protocols.loops.loop_closure.ccd.SlidingWindowLoopClosure, more_cut : rosetta.core.pose.Pose, less_cut : rosetta.core.pose.Pose) -> rosetta.protocols.loops.Loop
- fragments(...) from builtins.PyCapsule
- fragments(self : rosetta.protocols.loops.loop_closure.ccd.SlidingWindowLoopClosure, frags : rosetta.core.fragment.FragSet) -> NoneType
- keep_fragments(...) from builtins.PyCapsule
- keep_fragments(*args, **kwargs)
Overloaded function.
1. keep_fragments(rosetta.protocols.loops.loop_closure.ccd.SlidingWindowLoopClosure) -> NoneType
2. keep_fragments(self : rosetta.protocols.loops.loop_closure.ccd.SlidingWindowLoopClosure, setting : bool) -> NoneType
- movemap(...) from builtins.PyCapsule
- movemap(*args, **kwargs)
Overloaded function.
1. movemap(rosetta.protocols.loops.loop_closure.ccd.SlidingWindowLoopClosure) -> rosetta.core.kinematics.MoveMap
2. movemap(self : rosetta.protocols.loops.loop_closure.ccd.SlidingWindowLoopClosure, movemap : rosetta.core.kinematics.MoveMap) -> NoneType
- output_debug_structure(...) from builtins.PyCapsule
- output_debug_structure(self : rosetta.protocols.loops.loop_closure.ccd.SlidingWindowLoopClosure, pose : rosetta.core.pose.Pose, prefix : str) -> NoneType
- scored_frag_cycle_ratio(...) from builtins.PyCapsule
- scored_frag_cycle_ratio(self : rosetta.protocols.loops.loop_closure.ccd.SlidingWindowLoopClosure, setting : float) -> NoneType
- scorefxn(...) from builtins.PyCapsule
- scorefxn(*args, **kwargs)
Overloaded function.
1. scorefxn(rosetta.protocols.loops.loop_closure.ccd.SlidingWindowLoopClosure) -> rosetta.core.scoring.ScoreFunction
2. scorefxn(self : rosetta.protocols.loops.loop_closure.ccd.SlidingWindowLoopClosure, sfxn : rosetta.core.scoring.ScoreFunction) -> NoneType
- setPoseExtraScore(...) from builtins.PyCapsule
- setPoseExtraScore(pose : rosetta.core.pose.Pose) -> NoneType
- set_bIdealLoopClosing(...) from builtins.PyCapsule
- set_bIdealLoopClosing(self : rosetta.protocols.loops.loop_closure.ccd.SlidingWindowLoopClosure, setting : bool) -> NoneType
- set_chainbreak_max(...) from builtins.PyCapsule
- set_chainbreak_max(self : rosetta.protocols.loops.loop_closure.ccd.SlidingWindowLoopClosure, setting : float) -> NoneType
- set_evaluation(...) from builtins.PyCapsule
- set_evaluation(self : rosetta.protocols.loops.loop_closure.ccd.SlidingWindowLoopClosure, ev : rosetta.protocols.evaluation.MetaPoseEvaluator) -> NoneType
- set_loop(...) from builtins.PyCapsule
- set_loop(self : rosetta.protocols.loops.loop_closure.ccd.SlidingWindowLoopClosure, loop_in : rosetta.protocols.loops.Loop) -> NoneType
- short_frag_cycle_ratio(...) from builtins.PyCapsule
- short_frag_cycle_ratio(self : rosetta.protocols.loops.loop_closure.ccd.SlidingWindowLoopClosure, setting : float) -> 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
- 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 LoopClosure(builtins.object) |
| |
Methods defined here:
- __init__(...) from builtins.PyCapsule
- __init__(*args, **kwargs)
Overloaded function.
1. __init__(self : handle, fragset : rosetta.core.fragment.FragSet, scorefxn : rosetta.core.scoring.ScoreFunction, loop_def : rosetta.protocols.loops.Loop, movemap : rosetta.core.kinematics.MoveMap) -> NoneType
2. __init__(handle, rosetta.protocols.loops.loop_closure.ccd.LoopClosure) -> 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.loops.loop_closure.ccd.LoopClosure, pose : rosetta.core.pose.Pose) -> bool
- assign(...) from builtins.PyCapsule
- assign(self : rosetta.protocols.loops.loop_closure.ccd.LoopClosure, : rosetta.protocols.loops.loop_closure.ccd.LoopClosure) -> rosetta.protocols.loops.loop_closure.ccd.LoopClosure
- closure_fragments(...) from builtins.PyCapsule
- closure_fragments(rosetta.protocols.loops.loop_closure.ccd.LoopClosure) -> rosetta.core.fragment.Frame
- mc(...) from builtins.PyCapsule
- mc(rosetta.protocols.loops.loop_closure.ccd.LoopClosure) -> rosetta.protocols.moves.MonteCarlo
- movemap(...) from builtins.PyCapsule
- movemap(rosetta.protocols.loops.loop_closure.ccd.LoopClosure) -> rosetta.core.kinematics.MoveMap
- nr_fragments(...) from builtins.PyCapsule
- nr_fragments(rosetta.protocols.loops.loop_closure.ccd.LoopClosure) -> int
- ramp_chainbreak(...) from builtins.PyCapsule
- ramp_chainbreak(*args, **kwargs)
Overloaded function.
1. ramp_chainbreak(rosetta.protocols.loops.loop_closure.ccd.LoopClosure) -> NoneType
2. ramp_chainbreak(self : rosetta.protocols.loops.loop_closure.ccd.LoopClosure, setting : bool) -> NoneType
- scorefxn(...) from builtins.PyCapsule
- scorefxn(rosetta.protocols.loops.loop_closure.ccd.LoopClosure) -> rosetta.core.scoring.ScoreFunction
- set_cycles(...) from builtins.PyCapsule
- set_cycles(*args, **kwargs)
Overloaded function.
1. set_cycles(rosetta.protocols.loops.loop_closure.ccd.LoopClosure) -> NoneType
2. set_cycles(self : rosetta.protocols.loops.loop_closure.ccd.LoopClosure, cycle_ratio : float) -> NoneType
- set_nr_fragments(...) from builtins.PyCapsule
- set_nr_fragments(*args, **kwargs)
Overloaded function.
1. set_nr_fragments(rosetta.protocols.loops.loop_closure.ccd.LoopClosure) -> NoneType
2. set_nr_fragments(self : rosetta.protocols.loops.loop_closure.ccd.LoopClosure, nr_fragments : int) -> NoneType
|
class RamaCheck1B(RamaCheckBase) |
| |
- Method resolution order:
- RamaCheck1B
- RamaCheckBase
- builtins.object
Methods defined here:
- __init__(...) from builtins.PyCapsule
- __init__(*args, **kwargs)
Overloaded function.
1. __init__(handle) -> NoneType
2. __init__(handle, rosetta.protocols.loops.loop_closure.ccd.RamaCheck1B) -> 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.loops.loop_closure.ccd.RamaCheck1B, object_to_copy : rosetta.protocols.loops.loop_closure.ccd.RamaCheck1B) -> rosetta.protocols.loops.loop_closure.ccd.RamaCheck1B
- clone(...) from builtins.PyCapsule
- clone(rosetta.protocols.loops.loop_closure.ccd.RamaCheck1B) -> rosetta.protocols.loops.loop_closure.ccd.RamaCheckBase
Return a pointer to a new, fully configured copy of RamaCheck1B
- compute_rama_score(...) from builtins.PyCapsule
- compute_rama_score(self : rosetta.protocols.loops.loop_closure.ccd.RamaCheck1B, pose : rosetta.core.pose.Pose, seqpos : int, phi : float, psi : float) -> float
Compute the Ramachandran score of residue <seqpos> in <pose> with a hypothetical conformation <phi>, <psi>.
The score is independent of the identity of the neighboring residues.
- name(...) from builtins.PyCapsule
- name(rosetta.protocols.loops.loop_closure.ccd.RamaCheck1B) -> str
Return "RamaCheck1B"
Methods inherited from RamaCheckBase:
- __str__(...) from builtins.PyCapsule
- __str__(rosetta.protocols.loops.loop_closure.ccd.RamaCheckBase) -> str
- accept_new_conformation(...) from builtins.PyCapsule
- accept_new_conformation(self : rosetta.protocols.loops.loop_closure.ccd.RamaCheckBase, pose : rosetta.core.pose.Pose, torsion_id : rosetta.core.id.TorsionID, alpha : float) -> bool
Determine whether or not a candidate conformation should be accepted based on the Ramachandran score.
true if the move should be accepted, false if it should be rejected.
- average_change_in_rama_score_over_range(...) from builtins.PyCapsule
- average_change_in_rama_score_over_range(self : rosetta.protocols.loops.loop_closure.ccd.RamaCheckBase, pose : rosetta.core.pose.Pose, first_res : int, last_res : int) -> float
Compute the average change in Ramachandran score between the initial pose and the current pose from
<first_res> to <last_res>.
The average change in Ramachandran score.
- initialize_starting_rama_scores(...) from builtins.PyCapsule
- initialize_starting_rama_scores(self : rosetta.protocols.loops.loop_closure.ccd.RamaCheckBase, pose : rosetta.core.pose.Pose) -> NoneType
Store the Ramachandran scores of each residue in the supplied pose.
- max_rama_score_increase(...) from builtins.PyCapsule
- max_rama_score_increase(*args, **kwargs)
Overloaded function.
1. max_rama_score_increase(rosetta.protocols.loops.loop_closure.ccd.RamaCheckBase) -> float
Get the maximum rama score increase allowed during rama score-checking with the Metropolis criterion.
This value will only be used if the option for checking the rama score is turned on.
2. max_rama_score_increase(self : rosetta.protocols.loops.loop_closure.ccd.RamaCheckBase, input_max_rama_score_increase : float) -> NoneType
Set the maximum rama score increase allowed during rama score-checking with the Metropolis criterion.
This value will only be used if the option for checking the rama score is turned on.
- parse_my_tag(...) from builtins.PyCapsule
- parse_my_tag(self : rosetta.protocols.loops.loop_closure.ccd.RamaCheckBase, tag : rosetta.utility.tag.Tag) -> NoneType
- register_options(...) from builtins.PyCapsule
- register_options() -> NoneType
Register options with the option system.
- temperature(...) from builtins.PyCapsule
- temperature(*args, **kwargs)
Overloaded function.
1. temperature(rosetta.protocols.loops.loop_closure.ccd.RamaCheckBase) -> float
Get the "temperature" used for rama score-checking with the Metropolis criterion.
This value will only be used if the option for checking the rama score is turned on.
2. temperature(self : rosetta.protocols.loops.loop_closure.ccd.RamaCheckBase, input_temperature : float) -> NoneType
Set the "temperature" used for rama score-checking with the Metropolis criterion.
This value will only be used if the option for checking the rama score is turned on.
- total_net_change_in_rama_score_over_range(...) from builtins.PyCapsule
- total_net_change_in_rama_score_over_range(self : rosetta.protocols.loops.loop_closure.ccd.RamaCheckBase, pose : rosetta.core.pose.Pose, first_res : int, last_res : int) -> float
Compute the total net change in Ramachandran score between the initial pose and the current pose from
<first_res> to <last_res>.
The total net change in Ramachandran score.
|
class RamaCheck2B(RamaCheckBase) |
| |
- Method resolution order:
- RamaCheck2B
- RamaCheckBase
- builtins.object
Methods defined here:
- __init__(...) from builtins.PyCapsule
- __init__(*args, **kwargs)
Overloaded function.
1. __init__(handle) -> NoneType
2. __init__(handle, rosetta.protocols.loops.loop_closure.ccd.RamaCheck2B) -> 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.loops.loop_closure.ccd.RamaCheck2B, object_to_copy : rosetta.protocols.loops.loop_closure.ccd.RamaCheck2B) -> rosetta.protocols.loops.loop_closure.ccd.RamaCheck2B
- clone(...) from builtins.PyCapsule
- clone(rosetta.protocols.loops.loop_closure.ccd.RamaCheck2B) -> rosetta.protocols.loops.loop_closure.ccd.RamaCheckBase
Return a pointer to a new, fully configured copy of RamaCheck2B
- compute_rama_score(...) from builtins.PyCapsule
- compute_rama_score(self : rosetta.protocols.loops.loop_closure.ccd.RamaCheck2B, pose : rosetta.core.pose.Pose, seqpos : int, phi : float, psi : float) -> float
Compute the Ramachandran score of residue <seqpos> in <pose> with a hypothetical conformation <phi>, <psi>.
The score depends on the identity of the neighboring residues.
- name(...) from builtins.PyCapsule
- name(rosetta.protocols.loops.loop_closure.ccd.RamaCheck2B) -> str
Return "RamaCheck2B"
Methods inherited from RamaCheckBase:
- __str__(...) from builtins.PyCapsule
- __str__(rosetta.protocols.loops.loop_closure.ccd.RamaCheckBase) -> str
- accept_new_conformation(...) from builtins.PyCapsule
- accept_new_conformation(self : rosetta.protocols.loops.loop_closure.ccd.RamaCheckBase, pose : rosetta.core.pose.Pose, torsion_id : rosetta.core.id.TorsionID, alpha : float) -> bool
Determine whether or not a candidate conformation should be accepted based on the Ramachandran score.
true if the move should be accepted, false if it should be rejected.
- average_change_in_rama_score_over_range(...) from builtins.PyCapsule
- average_change_in_rama_score_over_range(self : rosetta.protocols.loops.loop_closure.ccd.RamaCheckBase, pose : rosetta.core.pose.Pose, first_res : int, last_res : int) -> float
Compute the average change in Ramachandran score between the initial pose and the current pose from
<first_res> to <last_res>.
The average change in Ramachandran score.
- initialize_starting_rama_scores(...) from builtins.PyCapsule
- initialize_starting_rama_scores(self : rosetta.protocols.loops.loop_closure.ccd.RamaCheckBase, pose : rosetta.core.pose.Pose) -> NoneType
Store the Ramachandran scores of each residue in the supplied pose.
- max_rama_score_increase(...) from builtins.PyCapsule
- max_rama_score_increase(*args, **kwargs)
Overloaded function.
1. max_rama_score_increase(rosetta.protocols.loops.loop_closure.ccd.RamaCheckBase) -> float
Get the maximum rama score increase allowed during rama score-checking with the Metropolis criterion.
This value will only be used if the option for checking the rama score is turned on.
2. max_rama_score_increase(self : rosetta.protocols.loops.loop_closure.ccd.RamaCheckBase, input_max_rama_score_increase : float) -> NoneType
Set the maximum rama score increase allowed during rama score-checking with the Metropolis criterion.
This value will only be used if the option for checking the rama score is turned on.
- parse_my_tag(...) from builtins.PyCapsule
- parse_my_tag(self : rosetta.protocols.loops.loop_closure.ccd.RamaCheckBase, tag : rosetta.utility.tag.Tag) -> NoneType
- register_options(...) from builtins.PyCapsule
- register_options() -> NoneType
Register options with the option system.
- temperature(...) from builtins.PyCapsule
- temperature(*args, **kwargs)
Overloaded function.
1. temperature(rosetta.protocols.loops.loop_closure.ccd.RamaCheckBase) -> float
Get the "temperature" used for rama score-checking with the Metropolis criterion.
This value will only be used if the option for checking the rama score is turned on.
2. temperature(self : rosetta.protocols.loops.loop_closure.ccd.RamaCheckBase, input_temperature : float) -> NoneType
Set the "temperature" used for rama score-checking with the Metropolis criterion.
This value will only be used if the option for checking the rama score is turned on.
- total_net_change_in_rama_score_over_range(...) from builtins.PyCapsule
- total_net_change_in_rama_score_over_range(self : rosetta.protocols.loops.loop_closure.ccd.RamaCheckBase, pose : rosetta.core.pose.Pose, first_res : int, last_res : int) -> float
Compute the total net change in Ramachandran score between the initial pose and the current pose from
<first_res> to <last_res>.
The total net change in Ramachandran score.
|
class RamaCheckBase(builtins.object) |
| |
Methods defined here:
- __init__(...) from builtins.PyCapsule
- __init__(*args, **kwargs)
Overloaded function.
1. __init__(rosetta.protocols.loops.loop_closure.ccd.RamaCheckBase) -> NoneType
2. __init__(rosetta.protocols.loops.loop_closure.ccd.RamaCheckBase, rosetta.protocols.loops.loop_closure.ccd.RamaCheckBase) -> 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.loops.loop_closure.ccd.RamaCheckBase) -> str
- accept_new_conformation(...) from builtins.PyCapsule
- accept_new_conformation(self : rosetta.protocols.loops.loop_closure.ccd.RamaCheckBase, pose : rosetta.core.pose.Pose, torsion_id : rosetta.core.id.TorsionID, alpha : float) -> bool
Determine whether or not a candidate conformation should be accepted based on the Ramachandran score.
true if the move should be accepted, false if it should be rejected.
- assign(...) from builtins.PyCapsule
- assign(self : rosetta.protocols.loops.loop_closure.ccd.RamaCheckBase, object_to_copy : rosetta.protocols.loops.loop_closure.ccd.RamaCheckBase) -> rosetta.protocols.loops.loop_closure.ccd.RamaCheckBase
- average_change_in_rama_score_over_range(...) from builtins.PyCapsule
- average_change_in_rama_score_over_range(self : rosetta.protocols.loops.loop_closure.ccd.RamaCheckBase, pose : rosetta.core.pose.Pose, first_res : int, last_res : int) -> float
Compute the average change in Ramachandran score between the initial pose and the current pose from
<first_res> to <last_res>.
The average change in Ramachandran score.
- clone(...) from builtins.PyCapsule
- clone(rosetta.protocols.loops.loop_closure.ccd.RamaCheckBase) -> rosetta.protocols.loops.loop_closure.ccd.RamaCheckBase
Return a pointer to a new, fully configured copy of RamaCheckBase
The clone method should be used to copy an instance of RamaCheck if the derived class type is unknown.
- compute_rama_score(...) from builtins.PyCapsule
- compute_rama_score(self : rosetta.protocols.loops.loop_closure.ccd.RamaCheckBase, pose : rosetta.core.pose.Pose, seqpos : int, phi : float, psi : float) -> float
Compute the Ramachandran score of residue <seqpos> in <pose> with a hypothetical conformation <phi>, <psi>
- initialize_starting_rama_scores(...) from builtins.PyCapsule
- initialize_starting_rama_scores(self : rosetta.protocols.loops.loop_closure.ccd.RamaCheckBase, pose : rosetta.core.pose.Pose) -> NoneType
Store the Ramachandran scores of each residue in the supplied pose.
- max_rama_score_increase(...) from builtins.PyCapsule
- max_rama_score_increase(*args, **kwargs)
Overloaded function.
1. max_rama_score_increase(rosetta.protocols.loops.loop_closure.ccd.RamaCheckBase) -> float
Get the maximum rama score increase allowed during rama score-checking with the Metropolis criterion.
This value will only be used if the option for checking the rama score is turned on.
2. max_rama_score_increase(self : rosetta.protocols.loops.loop_closure.ccd.RamaCheckBase, input_max_rama_score_increase : float) -> NoneType
Set the maximum rama score increase allowed during rama score-checking with the Metropolis criterion.
This value will only be used if the option for checking the rama score is turned on.
- name(...) from builtins.PyCapsule
- name(rosetta.protocols.loops.loop_closure.ccd.RamaCheckBase) -> str
Return the name of the RamaCheck class being used
- parse_my_tag(...) from builtins.PyCapsule
- parse_my_tag(self : rosetta.protocols.loops.loop_closure.ccd.RamaCheckBase, tag : rosetta.utility.tag.Tag) -> NoneType
- register_options(...) from builtins.PyCapsule
- register_options() -> NoneType
Register options with the option system.
- temperature(...) from builtins.PyCapsule
- temperature(*args, **kwargs)
Overloaded function.
1. temperature(rosetta.protocols.loops.loop_closure.ccd.RamaCheckBase) -> float
Get the "temperature" used for rama score-checking with the Metropolis criterion.
This value will only be used if the option for checking the rama score is turned on.
2. temperature(self : rosetta.protocols.loops.loop_closure.ccd.RamaCheckBase, input_temperature : float) -> NoneType
Set the "temperature" used for rama score-checking with the Metropolis criterion.
This value will only be used if the option for checking the rama score is turned on.
- total_net_change_in_rama_score_over_range(...) from builtins.PyCapsule
- total_net_change_in_rama_score_over_range(self : rosetta.protocols.loops.loop_closure.ccd.RamaCheckBase, pose : rosetta.core.pose.Pose, first_res : int, last_res : int) -> float
Compute the total net change in Ramachandran score between the initial pose and the current pose from
<first_res> to <last_res>.
The total net change in Ramachandran score.
|
class ShortLoopClosure(LoopClosure) |
| |
- Method resolution order:
- ShortLoopClosure
- LoopClosure
- builtins.object
Methods defined here:
- __init__(...) from builtins.PyCapsule
- __init__(self : handle, fragset : rosetta.core.fragment.FragSet, loop_def : rosetta.protocols.loops.Loop, movemap : rosetta.core.kinematics.MoveMap) -> 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.loops.loop_closure.ccd.ShortLoopClosure, pose : rosetta.core.pose.Pose) -> bool
- assign(...) from builtins.PyCapsule
- assign(self : rosetta.protocols.loops.loop_closure.ccd.ShortLoopClosure, : rosetta.protocols.loops.loop_closure.ccd.ShortLoopClosure) -> rosetta.protocols.loops.loop_closure.ccd.ShortLoopClosure
- catch_fragment(...) from builtins.PyCapsule
- catch_fragment(self : rosetta.protocols.loops.loop_closure.ccd.ShortLoopClosure, short_pose : rosetta.core.pose.Pose) -> NoneType
save the loop-fragment in closure_frames_
Methods inherited from LoopClosure:
- closure_fragments(...) from builtins.PyCapsule
- closure_fragments(rosetta.protocols.loops.loop_closure.ccd.LoopClosure) -> rosetta.core.fragment.Frame
- mc(...) from builtins.PyCapsule
- mc(rosetta.protocols.loops.loop_closure.ccd.LoopClosure) -> rosetta.protocols.moves.MonteCarlo
- movemap(...) from builtins.PyCapsule
- movemap(rosetta.protocols.loops.loop_closure.ccd.LoopClosure) -> rosetta.core.kinematics.MoveMap
- nr_fragments(...) from builtins.PyCapsule
- nr_fragments(rosetta.protocols.loops.loop_closure.ccd.LoopClosure) -> int
- ramp_chainbreak(...) from builtins.PyCapsule
- ramp_chainbreak(*args, **kwargs)
Overloaded function.
1. ramp_chainbreak(rosetta.protocols.loops.loop_closure.ccd.LoopClosure) -> NoneType
2. ramp_chainbreak(self : rosetta.protocols.loops.loop_closure.ccd.LoopClosure, setting : bool) -> NoneType
- scorefxn(...) from builtins.PyCapsule
- scorefxn(rosetta.protocols.loops.loop_closure.ccd.LoopClosure) -> rosetta.core.scoring.ScoreFunction
- set_cycles(...) from builtins.PyCapsule
- set_cycles(*args, **kwargs)
Overloaded function.
1. set_cycles(rosetta.protocols.loops.loop_closure.ccd.LoopClosure) -> NoneType
2. set_cycles(self : rosetta.protocols.loops.loop_closure.ccd.LoopClosure, cycle_ratio : float) -> NoneType
- set_nr_fragments(...) from builtins.PyCapsule
- set_nr_fragments(*args, **kwargs)
Overloaded function.
1. set_nr_fragments(rosetta.protocols.loops.loop_closure.ccd.LoopClosure) -> NoneType
2. set_nr_fragments(self : rosetta.protocols.loops.loop_closure.ccd.LoopClosure, nr_fragments : int) -> NoneType
|
class SlidingWindowLoopClosure(rosetta.protocols.moves.Mover) |
| |
- Method resolution order:
- SlidingWindowLoopClosure
- rosetta.protocols.moves.Mover
- builtins.object
Methods defined here:
- __init__(...) from builtins.PyCapsule
- __init__(*args, **kwargs)
Overloaded function.
1. __init__(self : handle, fragset : rosetta.core.fragment.FragSet, scorefxn : rosetta.core.scoring.ScoreFunction, movemap : rosetta.core.kinematics.MoveMap) -> NoneType
2. __init__(handle) -> NoneType
3. __init__(handle, rosetta.protocols.loops.loop_closure.ccd.SlidingWindowLoopClosure) -> NoneType
- __new__(*args, **kwargs) from builtins.type
- Create and return a new object. See help(type) for accurate signature.
- apply(...) from builtins.PyCapsule
- apply(*args, **kwargs)
Overloaded function.
1. apply(self : rosetta.protocols.loops.loop_closure.ccd.SlidingWindowLoopClosure, more_cut : rosetta.core.pose.Pose, less_cut : rosetta.core.pose.Pose) -> NoneType
2. apply(self : rosetta.protocols.loops.loop_closure.ccd.SlidingWindowLoopClosure, more_cut : rosetta.core.pose.Pose) -> NoneType
- assign(...) from builtins.PyCapsule
- assign(self : rosetta.protocols.loops.loop_closure.ccd.SlidingWindowLoopClosure, : rosetta.protocols.loops.loop_closure.ccd.SlidingWindowLoopClosure) -> rosetta.protocols.loops.loop_closure.ccd.SlidingWindowLoopClosure
- bIdealLoopClosing(...) from builtins.PyCapsule
- bIdealLoopClosing(rosetta.protocols.loops.loop_closure.ccd.SlidingWindowLoopClosure) -> bool
- closure_fragments(...) from builtins.PyCapsule
- closure_fragments(rosetta.protocols.loops.loop_closure.ccd.SlidingWindowLoopClosure) -> rosetta.core.fragment.FragSet
- determine_loop(...) from builtins.PyCapsule
- determine_loop(self : rosetta.protocols.loops.loop_closure.ccd.SlidingWindowLoopClosure, more_cut : rosetta.core.pose.Pose, less_cut : rosetta.core.pose.Pose) -> rosetta.protocols.loops.Loop
- fragments(...) from builtins.PyCapsule
- fragments(self : rosetta.protocols.loops.loop_closure.ccd.SlidingWindowLoopClosure, frags : rosetta.core.fragment.FragSet) -> NoneType
- get_name(...) from builtins.PyCapsule
- get_name(rosetta.protocols.loops.loop_closure.ccd.SlidingWindowLoopClosure) -> str
- keep_fragments(...) from builtins.PyCapsule
- keep_fragments(*args, **kwargs)
Overloaded function.
1. keep_fragments(rosetta.protocols.loops.loop_closure.ccd.SlidingWindowLoopClosure) -> NoneType
2. keep_fragments(self : rosetta.protocols.loops.loop_closure.ccd.SlidingWindowLoopClosure, setting : bool) -> NoneType
- movemap(...) from builtins.PyCapsule
- movemap(*args, **kwargs)
Overloaded function.
1. movemap(rosetta.protocols.loops.loop_closure.ccd.SlidingWindowLoopClosure) -> rosetta.core.kinematics.MoveMap
2. movemap(self : rosetta.protocols.loops.loop_closure.ccd.SlidingWindowLoopClosure, movemap : rosetta.core.kinematics.MoveMap) -> NoneType
- output_debug_structure(...) from builtins.PyCapsule
- output_debug_structure(self : rosetta.protocols.loops.loop_closure.ccd.SlidingWindowLoopClosure, pose : rosetta.core.pose.Pose, prefix : str) -> NoneType
- sample_loops(...) from builtins.PyCapsule
- sample_loops(self : rosetta.protocols.loops.loop_closure.ccd.SlidingWindowLoopClosure, more_cut : rosetta.core.pose.Pose, less_cut : rosetta.core.pose.Pose) -> NoneType
- scored_frag_cycle_ratio(...) from builtins.PyCapsule
- scored_frag_cycle_ratio(self : rosetta.protocols.loops.loop_closure.ccd.SlidingWindowLoopClosure, setting : float) -> NoneType
- scorefxn(...) from builtins.PyCapsule
- scorefxn(*args, **kwargs)
Overloaded function.
1. scorefxn(rosetta.protocols.loops.loop_closure.ccd.SlidingWindowLoopClosure) -> rosetta.core.scoring.ScoreFunction
2. scorefxn(self : rosetta.protocols.loops.loop_closure.ccd.SlidingWindowLoopClosure, sfxn : rosetta.core.scoring.ScoreFunction) -> NoneType
- select_final_loop(...) from builtins.PyCapsule
- select_final_loop(self : rosetta.protocols.loops.loop_closure.ccd.SlidingWindowLoopClosure, more_cut : rosetta.core.pose.Pose, less_cut : rosetta.core.pose.Pose) -> NoneType
- setPoseExtraScore(...) from builtins.PyCapsule
- setPoseExtraScore(pose : rosetta.core.pose.Pose) -> NoneType
- set_bIdealLoopClosing(...) from builtins.PyCapsule
- set_bIdealLoopClosing(self : rosetta.protocols.loops.loop_closure.ccd.SlidingWindowLoopClosure, setting : bool) -> NoneType
- set_chainbreak_max(...) from builtins.PyCapsule
- set_chainbreak_max(self : rosetta.protocols.loops.loop_closure.ccd.SlidingWindowLoopClosure, setting : float) -> NoneType
- set_evaluation(...) from builtins.PyCapsule
- set_evaluation(self : rosetta.protocols.loops.loop_closure.ccd.SlidingWindowLoopClosure, ev : rosetta.protocols.evaluation.MetaPoseEvaluator) -> NoneType
- set_loop(...) from builtins.PyCapsule
- set_loop(self : rosetta.protocols.loops.loop_closure.ccd.SlidingWindowLoopClosure, loop_in : rosetta.protocols.loops.Loop) -> NoneType
- short_frag_cycle_ratio(...) from builtins.PyCapsule
- short_frag_cycle_ratio(self : rosetta.protocols.loops.loop_closure.ccd.SlidingWindowLoopClosure, setting : float) -> 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
- 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 WidthFirstSlidingWindowLoopClosure(SlidingWindowLoopClosure) |
|
it will switch between different windows. If nothing good is found after one sweep of window sizes we bail out... (assuming that it is fruitless)
if things look promising more sampling time is spend to find a good loop |
|
- Method resolution order:
- WidthFirstSlidingWindowLoopClosure
- SlidingWindowLoopClosure
- rosetta.protocols.moves.Mover
- builtins.object
Methods defined here:
- __init__(...) from builtins.PyCapsule
- __init__(*args, **kwargs)
Overloaded function.
1. __init__(self : handle, fragset : rosetta.core.fragment.FragSet, scorefxn : rosetta.core.scoring.ScoreFunction, movemap : rosetta.core.kinematics.MoveMap) -> NoneType
2. __init__(handle) -> NoneType
3. __init__(handle, rosetta.protocols.loops.loop_closure.ccd.WidthFirstSlidingWindowLoopClosure) -> 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.loops.loop_closure.ccd.WidthFirstSlidingWindowLoopClosure, : rosetta.protocols.loops.loop_closure.ccd.WidthFirstSlidingWindowLoopClosure) -> rosetta.protocols.loops.loop_closure.ccd.WidthFirstSlidingWindowLoopClosure
- get_name(...) from builtins.PyCapsule
- get_name(rosetta.protocols.loops.loop_closure.ccd.WidthFirstSlidingWindowLoopClosure) -> 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
- sample_loops(...) from builtins.PyCapsule
- sample_loops(self : rosetta.protocols.loops.loop_closure.ccd.WidthFirstSlidingWindowLoopClosure, more_cut : rosetta.core.pose.Pose, less_cut : rosetta.core.pose.Pose) -> NoneType
Methods inherited from SlidingWindowLoopClosure:
- apply(...) from builtins.PyCapsule
- apply(*args, **kwargs)
Overloaded function.
1. apply(self : rosetta.protocols.loops.loop_closure.ccd.SlidingWindowLoopClosure, more_cut : rosetta.core.pose.Pose, less_cut : rosetta.core.pose.Pose) -> NoneType
2. apply(self : rosetta.protocols.loops.loop_closure.ccd.SlidingWindowLoopClosure, more_cut : rosetta.core.pose.Pose) -> NoneType
- bIdealLoopClosing(...) from builtins.PyCapsule
- bIdealLoopClosing(rosetta.protocols.loops.loop_closure.ccd.SlidingWindowLoopClosure) -> bool
- closure_fragments(...) from builtins.PyCapsule
- closure_fragments(rosetta.protocols.loops.loop_closure.ccd.SlidingWindowLoopClosure) -> rosetta.core.fragment.FragSet
- determine_loop(...) from builtins.PyCapsule
- determine_loop(self : rosetta.protocols.loops.loop_closure.ccd.SlidingWindowLoopClosure, more_cut : rosetta.core.pose.Pose, less_cut : rosetta.core.pose.Pose) -> rosetta.protocols.loops.Loop
- fragments(...) from builtins.PyCapsule
- fragments(self : rosetta.protocols.loops.loop_closure.ccd.SlidingWindowLoopClosure, frags : rosetta.core.fragment.FragSet) -> NoneType
- keep_fragments(...) from builtins.PyCapsule
- keep_fragments(*args, **kwargs)
Overloaded function.
1. keep_fragments(rosetta.protocols.loops.loop_closure.ccd.SlidingWindowLoopClosure) -> NoneType
2. keep_fragments(self : rosetta.protocols.loops.loop_closure.ccd.SlidingWindowLoopClosure, setting : bool) -> NoneType
- movemap(...) from builtins.PyCapsule
- movemap(*args, **kwargs)
Overloaded function.
1. movemap(rosetta.protocols.loops.loop_closure.ccd.SlidingWindowLoopClosure) -> rosetta.core.kinematics.MoveMap
2. movemap(self : rosetta.protocols.loops.loop_closure.ccd.SlidingWindowLoopClosure, movemap : rosetta.core.kinematics.MoveMap) -> NoneType
- output_debug_structure(...) from builtins.PyCapsule
- output_debug_structure(self : rosetta.protocols.loops.loop_closure.ccd.SlidingWindowLoopClosure, pose : rosetta.core.pose.Pose, prefix : str) -> NoneType
- scored_frag_cycle_ratio(...) from builtins.PyCapsule
- scored_frag_cycle_ratio(self : rosetta.protocols.loops.loop_closure.ccd.SlidingWindowLoopClosure, setting : float) -> NoneType
- scorefxn(...) from builtins.PyCapsule
- scorefxn(*args, **kwargs)
Overloaded function.
1. scorefxn(rosetta.protocols.loops.loop_closure.ccd.SlidingWindowLoopClosure) -> rosetta.core.scoring.ScoreFunction
2. scorefxn(self : rosetta.protocols.loops.loop_closure.ccd.SlidingWindowLoopClosure, sfxn : rosetta.core.scoring.ScoreFunction) -> NoneType
- select_final_loop(...) from builtins.PyCapsule
- select_final_loop(self : rosetta.protocols.loops.loop_closure.ccd.SlidingWindowLoopClosure, more_cut : rosetta.core.pose.Pose, less_cut : rosetta.core.pose.Pose) -> NoneType
- setPoseExtraScore(...) from builtins.PyCapsule
- setPoseExtraScore(pose : rosetta.core.pose.Pose) -> NoneType
- set_bIdealLoopClosing(...) from builtins.PyCapsule
- set_bIdealLoopClosing(self : rosetta.protocols.loops.loop_closure.ccd.SlidingWindowLoopClosure, setting : bool) -> NoneType
- set_chainbreak_max(...) from builtins.PyCapsule
- set_chainbreak_max(self : rosetta.protocols.loops.loop_closure.ccd.SlidingWindowLoopClosure, setting : float) -> NoneType
- set_evaluation(...) from builtins.PyCapsule
- set_evaluation(self : rosetta.protocols.loops.loop_closure.ccd.SlidingWindowLoopClosure, ev : rosetta.protocols.evaluation.MetaPoseEvaluator) -> NoneType
- set_loop(...) from builtins.PyCapsule
- set_loop(self : rosetta.protocols.loops.loop_closure.ccd.SlidingWindowLoopClosure, loop_in : rosetta.protocols.loops.Loop) -> NoneType
- short_frag_cycle_ratio(...) from builtins.PyCapsule
- short_frag_cycle_ratio(self : rosetta.protocols.loops.loop_closure.ccd.SlidingWindowLoopClosure, setting : float) -> 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
- 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
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