| |
- builtins.object
-
- RelaxScriptCommand
- rosetta.protocols.moves.Mover(builtins.object)
-
- AtomCoordinateCstMover
- LocalRelax
- RangeRelaxMover
- RelaxProtocolBase
-
- CentroidRelax
- ClassicRelax
- FastRelax
- MiniRelax
- rosetta.protocols.moves.MoverCreator(builtins.object)
-
- AtomCoordinateCstMoverCreator
- ClassicRelaxCreator
- FastRelaxCreator
- LocalRelaxCreator
- rosetta.protocols.wum.WorkUnit_SilentStructStore(rosetta.protocols.wum.WorkUnitBase)
-
- WorkUnit_BatchRelax
-
- WorkUnit_BatchRelax_and_PostRescore
class AtomCoordinateCstMover(rosetta.protocols.moves.Mover) |
| |
- Method resolution order:
- AtomCoordinateCstMover
- 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.relax.AtomCoordinateCstMover) -> NoneType
- __new__(*args, **kwargs) from builtins.type
- Create and return a new object. See help(type) for accurate signature.
- ambiguous_hnq(...) from builtins.PyCapsule
- ambiguous_hnq(*args, **kwargs)
Overloaded function.
1. ambiguous_hnq(self : rosetta.protocols.relax.AtomCoordinateCstMover, flip_hnq : bool) -> NoneType
2. ambiguous_hnq(rosetta.protocols.relax.AtomCoordinateCstMover) -> bool
- apply(...) from builtins.PyCapsule
- apply(self : rosetta.protocols.relax.AtomCoordinateCstMover, pose : rosetta.core.pose.Pose) -> NoneType
- assign(...) from builtins.PyCapsule
- assign(self : rosetta.protocols.relax.AtomCoordinateCstMover, : rosetta.protocols.relax.AtomCoordinateCstMover) -> rosetta.protocols.relax.AtomCoordinateCstMover
- bounded(...) from builtins.PyCapsule
- bounded(*args, **kwargs)
Overloaded function.
1. bounded(self : rosetta.protocols.relax.AtomCoordinateCstMover, bound : bool) -> NoneType
2. bounded(rosetta.protocols.relax.AtomCoordinateCstMover) -> bool
- clone(...) from builtins.PyCapsule
- clone(rosetta.protocols.relax.AtomCoordinateCstMover) -> rosetta.protocols.moves.Mover
- cst_sd(...) from builtins.PyCapsule
- cst_sd(*args, **kwargs)
Overloaded function.
1. cst_sd(self : rosetta.protocols.relax.AtomCoordinateCstMover, sd : float) -> NoneType
2. cst_sd(rosetta.protocols.relax.AtomCoordinateCstMover) -> float
- cst_sidechain(...) from builtins.PyCapsule
- cst_sidechain(*args, **kwargs)
Overloaded function.
1. cst_sidechain(self : rosetta.protocols.relax.AtomCoordinateCstMover, sidechains : bool) -> NoneType
2. cst_sidechain(rosetta.protocols.relax.AtomCoordinateCstMover) -> bool
- cst_width(...) from builtins.PyCapsule
- cst_width(*args, **kwargs)
Overloaded function.
1. cst_width(self : rosetta.protocols.relax.AtomCoordinateCstMover, width : float) -> NoneType
2. cst_width(rosetta.protocols.relax.AtomCoordinateCstMover) -> float
- fresh_instance(...) from builtins.PyCapsule
- fresh_instance(rosetta.protocols.relax.AtomCoordinateCstMover) -> rosetta.protocols.moves.Mover
- get_name(...) from builtins.PyCapsule
- get_name(rosetta.protocols.relax.AtomCoordinateCstMover) -> str
- set_loop_segments(...) from builtins.PyCapsule
- set_loop_segments(self : rosetta.protocols.relax.AtomCoordinateCstMover, loops : rosetta.protocols.loops.Loops) -> NoneType
- set_refstruct(...) from builtins.PyCapsule
- set_refstruct(self : rosetta.protocols.relax.AtomCoordinateCstMover, ref : rosetta.core.pose.Pose) -> NoneType
- set_task_segments(...) from builtins.PyCapsule
- set_task_segments(self : rosetta.protocols.relax.AtomCoordinateCstMover, taskfactory : rosetta.core.pack.task.TaskFactory) -> 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
- 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 CentroidRelax(RelaxProtocolBase) |
|
Relax a pose using Frank Dimaio's smooth centroid statistics.
Currently under optimization.
Minimize a centroid representation of a pose. Ramp VDW/Rama or both.
May tweak structure by up to ~2.5 A without constraints.
Use custom constraints or coordinate constraints through relax options for best results.
Using starting coordinate constraints, structure is tweaked by ~.3/.4 A
Use increased VDW radii option for bb to improve bb-geometry when not using constraints |
|
- Method resolution order:
- CentroidRelax
- RelaxProtocolBase
- 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, mm : rosetta.core.kinematics.MoveMap) -> NoneType
3. __init__(self : handle, mm : rosetta.core.kinematics.MoveMap, cen_scorefxn_in : rosetta.core.scoring.ScoreFunction) -> NoneType
4. __init__(handle, rosetta.protocols.relax.CentroidRelax) -> 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.relax.CentroidRelax, pose : rosetta.core.pose.Pose) -> NoneType
Applies the protocol, See notes
Setting ramp_rama and ramp_vdw to false switches to the BASIC protocol
which is rounds of the centroid minmover
- assign(...) from builtins.PyCapsule
- assign(self : rosetta.protocols.relax.CentroidRelax, : rosetta.protocols.relax.CentroidRelax) -> rosetta.protocols.relax.CentroidRelax
- clone(...) from builtins.PyCapsule
- clone(rosetta.protocols.relax.CentroidRelax) -> rosetta.protocols.moves.Mover
- do_final_repack(...) from builtins.PyCapsule
- do_final_repack(self : rosetta.protocols.relax.CentroidRelax, repack_sc : bool) -> NoneType
If a fullatom pose is passed, should we repack sidechains according to movemap?
- get_name(...) from builtins.PyCapsule
- get_name(rosetta.protocols.relax.CentroidRelax) -> str
- set_cartesian(...) from builtins.PyCapsule
- set_cartesian(self : rosetta.protocols.relax.CentroidRelax, cart : bool) -> NoneType
Sets to use the cartesian minimizer.
- set_defaults(...) from builtins.PyCapsule
- set_defaults(rosetta.protocols.relax.CentroidRelax) -> NoneType
- set_fa_score_function(...) from builtins.PyCapsule
- set_fa_score_function(self : rosetta.protocols.relax.CentroidRelax, fa_score : rosetta.core.scoring.ScoreFunction) -> NoneType
Sets fullatom scorefunction - only used for scoring the full atom pose before and after protocol.
- set_min_type(...) from builtins.PyCapsule
- set_min_type(self : rosetta.protocols.relax.CentroidRelax, min : str) -> NoneType
Sets the minimizer type.
- set_ramp_rama(...) from builtins.PyCapsule
- set_ramp_rama(self : rosetta.protocols.relax.CentroidRelax, use : bool) -> NoneType
Ramp Rama according to centroid relax parameters
- set_ramp_vdw(...) from builtins.PyCapsule
- set_ramp_vdw(self : rosetta.protocols.relax.CentroidRelax, use : bool) -> NoneType
Ramp VDW according to centroid relax parameters
- set_rounds(...) from builtins.PyCapsule
- set_rounds(self : rosetta.protocols.relax.CentroidRelax, rounds : int) -> NoneType
- set_score_function(...) from builtins.PyCapsule
- set_score_function(self : rosetta.protocols.relax.CentroidRelax, cen_score : rosetta.core.scoring.ScoreFunction) -> NoneType
Sets main scorefunction used for centroid minimization.
- set_use_increased_vdw_radii(...) from builtins.PyCapsule
- set_use_increased_vdw_radii(self : rosetta.protocols.relax.CentroidRelax, use : bool) -> NoneType
use larger VDW radii for atoms - bb for now - default True (Courtesy of Frank Dimaio)
- set_use_rama2b(...) from builtins.PyCapsule
- set_use_rama2b(self : rosetta.protocols.relax.CentroidRelax, use : bool) -> NoneType
Sets to use Rama2b instead of Rama - default True
Methods inherited from RelaxProtocolBase:
- apply_disulfides(...) from builtins.PyCapsule
- apply_disulfides(self : rosetta.protocols.relax.RelaxProtocolBase, pose : rosetta.core.pose.Pose) -> NoneType
- cartesian(...) from builtins.PyCapsule
- cartesian(*args, **kwargs)
Overloaded function.
1. cartesian(rosetta.protocols.relax.RelaxProtocolBase) -> bool
2. cartesian(self : rosetta.protocols.relax.RelaxProtocolBase, newval : bool) -> NoneType
Use cartesian (minimization step)
Sets to use the lbfgs_armijo_nonmonotone if true or FR default if false
Recommended to set max_iter to 200.
Requires scorefunction setup for non-ideal minimization.
- constrain_coords(...) from builtins.PyCapsule
- constrain_coords(*args, **kwargs)
Overloaded function.
1. constrain_coords(rosetta.protocols.relax.RelaxProtocolBase) -> bool
2. constrain_coords(self : rosetta.protocols.relax.RelaxProtocolBase, constrain_coords : bool) -> NoneType
- constrain_relax_segments(...) from builtins.PyCapsule
- constrain_relax_segments(*args, **kwargs)
Overloaded function.
1. constrain_relax_segments(rosetta.protocols.relax.RelaxProtocolBase) -> bool
2. constrain_relax_segments(self : rosetta.protocols.relax.RelaxProtocolBase, constrain_relax_segments : bool) -> NoneType
- constrain_relax_to_native_coords(...) from builtins.PyCapsule
- constrain_relax_to_native_coords(*args, **kwargs)
Overloaded function.
1. constrain_relax_to_native_coords(rosetta.protocols.relax.RelaxProtocolBase) -> bool
2. constrain_relax_to_native_coords(self : rosetta.protocols.relax.RelaxProtocolBase, constrain_relax_to_native_coords : bool) -> NoneType
- constrain_relax_to_start_coords(...) from builtins.PyCapsule
- constrain_relax_to_start_coords(*args, **kwargs)
Overloaded function.
1. constrain_relax_to_start_coords(rosetta.protocols.relax.RelaxProtocolBase) -> bool
2. constrain_relax_to_start_coords(self : rosetta.protocols.relax.RelaxProtocolBase, constrain_relax_to_start_coords : bool) -> NoneType
- dry_run(...) from builtins.PyCapsule
- dry_run(*args, **kwargs)
Overloaded function.
1. dry_run(rosetta.protocols.relax.RelaxProtocolBase) -> bool
2. dry_run(self : rosetta.protocols.relax.RelaxProtocolBase, setting : bool) -> NoneType
- explicit_ramp_constraints(...) from builtins.PyCapsule
- explicit_ramp_constraints(rosetta.protocols.relax.RelaxProtocolBase) -> bool
- fresh_instance(...) from builtins.PyCapsule
- fresh_instance(rosetta.protocols.relax.RelaxProtocolBase) -> rosetta.protocols.moves.Mover
- get_movemap(...) from builtins.PyCapsule
- get_movemap(*args, **kwargs)
Overloaded function.
1. get_movemap(rosetta.protocols.relax.RelaxProtocolBase) -> rosetta.core.kinematics.MoveMap
2. get_movemap(rosetta.protocols.relax.RelaxProtocolBase) -> rosetta.core.kinematics.MoveMap
- get_scorefxn(...) from builtins.PyCapsule
- get_scorefxn(rosetta.protocols.relax.RelaxProtocolBase) -> rosetta.core.scoring.ScoreFunction
- get_task_factory(...) from builtins.PyCapsule
- get_task_factory(rosetta.protocols.relax.RelaxProtocolBase) -> rosetta.core.pack.task.TaskFactory
- max_iter(...) from builtins.PyCapsule
- max_iter(*args, **kwargs)
Overloaded function.
1. max_iter(rosetta.protocols.relax.RelaxProtocolBase) -> int
2. max_iter(self : rosetta.protocols.relax.RelaxProtocolBase, max_iter : int) -> NoneType
- min_type(...) from builtins.PyCapsule
- min_type(*args, **kwargs)
Overloaded function.
1. min_type(rosetta.protocols.relax.RelaxProtocolBase) -> str
2. min_type(self : rosetta.protocols.relax.RelaxProtocolBase, min_type : str) -> NoneType
- minimize_bond_angles(...) from builtins.PyCapsule
- minimize_bond_angles(*args, **kwargs)
Overloaded function.
1. minimize_bond_angles(rosetta.protocols.relax.RelaxProtocolBase) -> bool
2. minimize_bond_angles(self : rosetta.protocols.relax.RelaxProtocolBase, minimize_bond_angles : bool) -> NoneType
- minimize_bond_lengths(...) from builtins.PyCapsule
- minimize_bond_lengths(*args, **kwargs)
Overloaded function.
1. minimize_bond_lengths(rosetta.protocols.relax.RelaxProtocolBase) -> bool
2. minimize_bond_lengths(self : rosetta.protocols.relax.RelaxProtocolBase, minimize_bond_lengths : bool) -> NoneType
- ramp_down_constraints(...) from builtins.PyCapsule
- ramp_down_constraints(*args, **kwargs)
Overloaded function.
1. ramp_down_constraints(rosetta.protocols.relax.RelaxProtocolBase) -> bool
2. ramp_down_constraints(self : rosetta.protocols.relax.RelaxProtocolBase, ramp_down_constraints : bool) -> 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
- set_default_coordinate_settings(...) from builtins.PyCapsule
- set_default_coordinate_settings(rosetta.protocols.relax.RelaxProtocolBase) -> NoneType
- set_default_minimization_settings(...) from builtins.PyCapsule
- set_default_minimization_settings(rosetta.protocols.relax.RelaxProtocolBase) -> NoneType
- set_default_movemap(...) from builtins.PyCapsule
- set_default_movemap(rosetta.protocols.relax.RelaxProtocolBase) -> NoneType
- set_movemap(...) from builtins.PyCapsule
- set_movemap(self : rosetta.protocols.relax.RelaxProtocolBase, movemap : rosetta.core.kinematics.MoveMap) -> NoneType
- set_scorefxn(...) from builtins.PyCapsule
- set_scorefxn(self : rosetta.protocols.relax.RelaxProtocolBase, scorefxn : rosetta.core.scoring.ScoreFunction) -> NoneType
- set_task_factory(...) from builtins.PyCapsule
- set_task_factory(self : rosetta.protocols.relax.RelaxProtocolBase, task_factory : rosetta.core.pack.task.TaskFactory) -> 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
- 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 ClassicRelax(RelaxProtocolBase) |
|
A functor class which implements the classic Rosetta++ pose_relax protocol |
|
- Method resolution order:
- ClassicRelax
- RelaxProtocolBase
- rosetta.protocols.moves.Mover
- builtins.object
Methods defined here:
- __init__(...) from builtins.PyCapsule
- __init__(*args, **kwargs)
Overloaded function.
1. __init__(self : handle, scorefxn_in : rosetta.core.scoring.ScoreFunction) -> NoneType
2. __init__(self : handle, scorefxn_in : rosetta.core.scoring.ScoreFunction, movemap : rosetta.core.kinematics.MoveMap) -> NoneType
3. __init__(handle, rosetta.protocols.relax.ClassicRelax) -> NoneType
4. __init__(handle) -> 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.relax.ClassicRelax, pose : rosetta.core.pose.Pose) -> NoneType
////////////////////////////////////////////////////////////////////////////////
Central Apply function
- assign(...) from builtins.PyCapsule
- assign(self : rosetta.protocols.relax.ClassicRelax, : rosetta.protocols.relax.ClassicRelax) -> rosetta.protocols.relax.ClassicRelax
- clone(...) from builtins.PyCapsule
- clone(rosetta.protocols.relax.ClassicRelax) -> rosetta.protocols.moves.Mover
- get_checkpoints(...) from builtins.PyCapsule
- get_checkpoints(rosetta.protocols.relax.ClassicRelax) -> rosetta.protocols.checkpoint.CheckPointer
- get_mc(...) from builtins.PyCapsule
- get_mc(self : rosetta.protocols.relax.ClassicRelax, pose : rosetta.core.pose.Pose) -> rosetta.protocols.moves.MonteCarlo
////////////////////////////////////////////////////////////////////////////////
Accessors
- get_name(...) from builtins.PyCapsule
- get_name(rosetta.protocols.relax.ClassicRelax) -> 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
- setPoseExtraScore(...) from builtins.PyCapsule
- setPoseExtraScore(self : rosetta.protocols.relax.ClassicRelax, pose : rosetta.core.pose.Pose) -> NoneType
- set_default(...) from builtins.PyCapsule
- set_default(*args, **kwargs)
Overloaded function.
1. set_default(self : rosetta.protocols.relax.ClassicRelax, scorefxn_in : rosetta.core.scoring.ScoreFunction) -> NoneType
2. set_default(rosetta.protocols.relax.ClassicRelax) -> NoneType
////////////////////////////////////////////////////////////////////////////////
Set default options from outside
3. set_default(self : rosetta.protocols.relax.ClassicRelax, use_default_movemap : bool) -> NoneType
////////////////////////////////////////////////////////////////////////////////
Set default options from outside
- set_default_minimizer(...) from builtins.PyCapsule
- set_default_minimizer(rosetta.protocols.relax.ClassicRelax) -> NoneType
- set_default_moveset_phase1(...) from builtins.PyCapsule
- set_default_moveset_phase1(rosetta.protocols.relax.ClassicRelax) -> NoneType
- set_default_moveset_phase2(...) from builtins.PyCapsule
- set_default_moveset_phase2(rosetta.protocols.relax.ClassicRelax) -> NoneType
- set_default_moveset_phase3(...) from builtins.PyCapsule
- set_default_moveset_phase3(rosetta.protocols.relax.ClassicRelax) -> NoneType
- set_full_repack(...) from builtins.PyCapsule
- set_full_repack(self : rosetta.protocols.relax.ClassicRelax, new_pack_full_repack : rosetta.protocols.simple_moves.PackRotamersMover) -> NoneType
- set_lj_ramp_cycles(...) from builtins.PyCapsule
- set_lj_ramp_cycles(self : rosetta.protocols.relax.ClassicRelax, param : int) -> NoneType
////////////////////////////////////////////////////////////////////////////////
Set options from outside
- set_lj_ramp_inner_cycles(...) from builtins.PyCapsule
- set_lj_ramp_inner_cycles(self : rosetta.protocols.relax.ClassicRelax, param : int) -> NoneType
- set_mc(...) from builtins.PyCapsule
- set_mc(self : rosetta.protocols.relax.ClassicRelax, new_mc_ : rosetta.protocols.moves.MonteCarlo) -> NoneType
- set_rottrial(...) from builtins.PyCapsule
- set_rottrial(self : rosetta.protocols.relax.ClassicRelax, new_pack_rottrial : protocols::simple_moves::RotamerTrialsMover) -> NoneType
- set_stage2_cycles(...) from builtins.PyCapsule
- set_stage2_cycles(self : rosetta.protocols.relax.ClassicRelax, cycles2 : int) -> NoneType
- set_stage2_repack_period(...) from builtins.PyCapsule
- set_stage2_repack_period(self : rosetta.protocols.relax.ClassicRelax, repack2 : int) -> NoneType
- set_stage3_cycles(...) from builtins.PyCapsule
- set_stage3_cycles(self : rosetta.protocols.relax.ClassicRelax, cycles3 : int) -> NoneType
- set_start_rep_weight(...) from builtins.PyCapsule
- set_start_rep_weight(self : rosetta.protocols.relax.ClassicRelax, param : float) -> NoneType
- set_tolerance(...) from builtins.PyCapsule
- set_tolerance(self : rosetta.protocols.relax.ClassicRelax, new_tolerance : float) -> NoneType
- use_coarse_vdw(...) from builtins.PyCapsule
- use_coarse_vdw(rosetta.protocols.relax.ClassicRelax) -> NoneType
Methods inherited from RelaxProtocolBase:
- apply_disulfides(...) from builtins.PyCapsule
- apply_disulfides(self : rosetta.protocols.relax.RelaxProtocolBase, pose : rosetta.core.pose.Pose) -> NoneType
- cartesian(...) from builtins.PyCapsule
- cartesian(*args, **kwargs)
Overloaded function.
1. cartesian(rosetta.protocols.relax.RelaxProtocolBase) -> bool
2. cartesian(self : rosetta.protocols.relax.RelaxProtocolBase, newval : bool) -> NoneType
Use cartesian (minimization step)
Sets to use the lbfgs_armijo_nonmonotone if true or FR default if false
Recommended to set max_iter to 200.
Requires scorefunction setup for non-ideal minimization.
- constrain_coords(...) from builtins.PyCapsule
- constrain_coords(*args, **kwargs)
Overloaded function.
1. constrain_coords(rosetta.protocols.relax.RelaxProtocolBase) -> bool
2. constrain_coords(self : rosetta.protocols.relax.RelaxProtocolBase, constrain_coords : bool) -> NoneType
- constrain_relax_segments(...) from builtins.PyCapsule
- constrain_relax_segments(*args, **kwargs)
Overloaded function.
1. constrain_relax_segments(rosetta.protocols.relax.RelaxProtocolBase) -> bool
2. constrain_relax_segments(self : rosetta.protocols.relax.RelaxProtocolBase, constrain_relax_segments : bool) -> NoneType
- constrain_relax_to_native_coords(...) from builtins.PyCapsule
- constrain_relax_to_native_coords(*args, **kwargs)
Overloaded function.
1. constrain_relax_to_native_coords(rosetta.protocols.relax.RelaxProtocolBase) -> bool
2. constrain_relax_to_native_coords(self : rosetta.protocols.relax.RelaxProtocolBase, constrain_relax_to_native_coords : bool) -> NoneType
- constrain_relax_to_start_coords(...) from builtins.PyCapsule
- constrain_relax_to_start_coords(*args, **kwargs)
Overloaded function.
1. constrain_relax_to_start_coords(rosetta.protocols.relax.RelaxProtocolBase) -> bool
2. constrain_relax_to_start_coords(self : rosetta.protocols.relax.RelaxProtocolBase, constrain_relax_to_start_coords : bool) -> NoneType
- dry_run(...) from builtins.PyCapsule
- dry_run(*args, **kwargs)
Overloaded function.
1. dry_run(rosetta.protocols.relax.RelaxProtocolBase) -> bool
2. dry_run(self : rosetta.protocols.relax.RelaxProtocolBase, setting : bool) -> NoneType
- explicit_ramp_constraints(...) from builtins.PyCapsule
- explicit_ramp_constraints(rosetta.protocols.relax.RelaxProtocolBase) -> bool
- fresh_instance(...) from builtins.PyCapsule
- fresh_instance(rosetta.protocols.relax.RelaxProtocolBase) -> rosetta.protocols.moves.Mover
- get_movemap(...) from builtins.PyCapsule
- get_movemap(*args, **kwargs)
Overloaded function.
1. get_movemap(rosetta.protocols.relax.RelaxProtocolBase) -> rosetta.core.kinematics.MoveMap
2. get_movemap(rosetta.protocols.relax.RelaxProtocolBase) -> rosetta.core.kinematics.MoveMap
- get_scorefxn(...) from builtins.PyCapsule
- get_scorefxn(rosetta.protocols.relax.RelaxProtocolBase) -> rosetta.core.scoring.ScoreFunction
- get_task_factory(...) from builtins.PyCapsule
- get_task_factory(rosetta.protocols.relax.RelaxProtocolBase) -> rosetta.core.pack.task.TaskFactory
- max_iter(...) from builtins.PyCapsule
- max_iter(*args, **kwargs)
Overloaded function.
1. max_iter(rosetta.protocols.relax.RelaxProtocolBase) -> int
2. max_iter(self : rosetta.protocols.relax.RelaxProtocolBase, max_iter : int) -> NoneType
- min_type(...) from builtins.PyCapsule
- min_type(*args, **kwargs)
Overloaded function.
1. min_type(rosetta.protocols.relax.RelaxProtocolBase) -> str
2. min_type(self : rosetta.protocols.relax.RelaxProtocolBase, min_type : str) -> NoneType
- minimize_bond_angles(...) from builtins.PyCapsule
- minimize_bond_angles(*args, **kwargs)
Overloaded function.
1. minimize_bond_angles(rosetta.protocols.relax.RelaxProtocolBase) -> bool
2. minimize_bond_angles(self : rosetta.protocols.relax.RelaxProtocolBase, minimize_bond_angles : bool) -> NoneType
- minimize_bond_lengths(...) from builtins.PyCapsule
- minimize_bond_lengths(*args, **kwargs)
Overloaded function.
1. minimize_bond_lengths(rosetta.protocols.relax.RelaxProtocolBase) -> bool
2. minimize_bond_lengths(self : rosetta.protocols.relax.RelaxProtocolBase, minimize_bond_lengths : bool) -> NoneType
- ramp_down_constraints(...) from builtins.PyCapsule
- ramp_down_constraints(*args, **kwargs)
Overloaded function.
1. ramp_down_constraints(rosetta.protocols.relax.RelaxProtocolBase) -> bool
2. ramp_down_constraints(self : rosetta.protocols.relax.RelaxProtocolBase, ramp_down_constraints : bool) -> NoneType
- set_default_coordinate_settings(...) from builtins.PyCapsule
- set_default_coordinate_settings(rosetta.protocols.relax.RelaxProtocolBase) -> NoneType
- set_default_minimization_settings(...) from builtins.PyCapsule
- set_default_minimization_settings(rosetta.protocols.relax.RelaxProtocolBase) -> NoneType
- set_default_movemap(...) from builtins.PyCapsule
- set_default_movemap(rosetta.protocols.relax.RelaxProtocolBase) -> NoneType
- set_defaults(...) from builtins.PyCapsule
- set_defaults(rosetta.protocols.relax.RelaxProtocolBase) -> NoneType
- set_movemap(...) from builtins.PyCapsule
- set_movemap(self : rosetta.protocols.relax.RelaxProtocolBase, movemap : rosetta.core.kinematics.MoveMap) -> NoneType
- set_scorefxn(...) from builtins.PyCapsule
- set_scorefxn(self : rosetta.protocols.relax.RelaxProtocolBase, scorefxn : rosetta.core.scoring.ScoreFunction) -> NoneType
- set_task_factory(...) from builtins.PyCapsule
- set_task_factory(self : rosetta.protocols.relax.RelaxProtocolBase, task_factory : rosetta.core.pack.task.TaskFactory) -> 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
- 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 FastRelax(RelaxProtocolBase) |
| |
- Method resolution order:
- FastRelax
- RelaxProtocolBase
- rosetta.protocols.moves.Mover
- builtins.object
Methods defined here:
- __init__(...) from builtins.PyCapsule
- __init__(*args, **kwargs)
Overloaded function.
1. __init__(handle) -> NoneType
doc
2. __init__(self : handle, standard_repeats : int) -> NoneType
3. __init__(handle, rosetta.core.scoring.ScoreFunction) -> NoneType
doc
4. __init__(self : handle, scorefxn_in : rosetta.core.scoring.ScoreFunction, standard_repeats : int) -> NoneType
5. __init__(self : handle, scorefxn_in : rosetta.core.scoring.ScoreFunction, script_file : str) -> NoneType
6. __init__(self : handle, scorefxn_in : rosetta.core.scoring.ScoreFunction, standard_repeats : int, script_file : str) -> NoneType
7. __init__(handle, rosetta.protocols.relax.FastRelax) -> 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.relax.FastRelax, pose : rosetta.core.pose.Pose) -> NoneType
Apply the FastRelax. Overloaded apply function from mover base class.
- assign(...) from builtins.PyCapsule
- assign(self : rosetta.protocols.relax.FastRelax, : rosetta.protocols.relax.FastRelax) -> rosetta.protocols.relax.FastRelax
- batch_apply(...) from builtins.PyCapsule
- batch_apply(*args, **kwargs)
Overloaded function.
1. batch_apply(self : rosetta.protocols.relax.FastRelax, input_structs : rosetta.std.vector_std_shared_ptr_core_io_silent_SilentStruct_t) -> NoneType
Batch Relax, a new even faster way to relax entire batches of structures.
2. batch_apply(self : rosetta.protocols.relax.FastRelax, input_structs : rosetta.std.vector_std_shared_ptr_core_io_silent_SilentStruct_t, input_csts : rosetta.core.scoring.constraints.ConstraintSet) -> NoneType
Batch Relax, a new even faster way to relax entire batches of structures.
3. batch_apply(self : rosetta.protocols.relax.FastRelax, input_structs : rosetta.std.vector_std_shared_ptr_core_io_silent_SilentStruct_t, input_csts : rosetta.core.scoring.constraints.ConstraintSet, decay_rate : float) -> NoneType
Batch Relax, a new even faster way to relax entire batches of structures.
- clone(...) from builtins.PyCapsule
- clone(rosetta.protocols.relax.FastRelax) -> rosetta.protocols.moves.Mover
return a fresh instance of this class in an owning pointer
- default_repeats(...) from builtins.PyCapsule
- default_repeats(rosetta.protocols.relax.FastRelax) -> int
Return the number of repeats
- dualspace(...) from builtins.PyCapsule
- dualspace(*args, **kwargs)
Overloaded function.
1. dualspace(self : rosetta.protocols.relax.FastRelax, val : bool) -> NoneType
Use the dualspace (Dihedral + Cartesian) relax protocol (Default false)
Sets to use the lbfgs_armijo_nonmonotone if true or FR default if false
Recommended to set max_iter to 200.
Recommended to set minimize_bond_angles to true as well.
Requires scorefunction setup for non-ideal minimization.
2. dualspace(rosetta.protocols.relax.FastRelax) -> bool
- get_name(...) from builtins.PyCapsule
- get_name(rosetta.protocols.relax.FastRelax) -> str
Return the name of this mover.
- set_enable_design(...) from builtins.PyCapsule
- set_enable_design(self : rosetta.protocols.relax.FastRelax, val : bool) -> NoneType
sets the enable_design option.
Note - (Only used by ParseMyTag! Class will respect the passed TF otherwise, as it should.)
- set_force_nonideal(...) from builtins.PyCapsule
- set_force_nonideal(self : rosetta.protocols.relax.FastRelax, val : bool) -> NoneType
Force us to batchrelax with nonideal geometry (using additional memory)
- set_script_from_lines(...) from builtins.PyCapsule
- set_script_from_lines(self : rosetta.protocols.relax.FastRelax, filelines : rosetta.std.vector_std_string) -> NoneType
replace schedule by providing lines of commands explicitly
- set_script_to_batchrelax_default(...) from builtins.PyCapsule
- set_script_to_batchrelax_default(*args, **kwargs)
Overloaded function.
1. set_script_to_batchrelax_default(rosetta.protocols.relax.FastRelax) -> NoneType
Override the stored script with the default script for batchrelax
Ignores '-default_repeat' value
2. set_script_to_batchrelax_default(self : rosetta.protocols.relax.FastRelax, standard_repeats : int) -> NoneType
Override the stored script with the default script for batchrelax
Ignores '-default_repeat' value
- set_to_default(...) from builtins.PyCapsule
- set_to_default(rosetta.protocols.relax.FastRelax) -> NoneType
Initializes class using option system. This is called by the constructors
Methods inherited from RelaxProtocolBase:
- apply_disulfides(...) from builtins.PyCapsule
- apply_disulfides(self : rosetta.protocols.relax.RelaxProtocolBase, pose : rosetta.core.pose.Pose) -> NoneType
- cartesian(...) from builtins.PyCapsule
- cartesian(*args, **kwargs)
Overloaded function.
1. cartesian(rosetta.protocols.relax.RelaxProtocolBase) -> bool
2. cartesian(self : rosetta.protocols.relax.RelaxProtocolBase, newval : bool) -> NoneType
Use cartesian (minimization step)
Sets to use the lbfgs_armijo_nonmonotone if true or FR default if false
Recommended to set max_iter to 200.
Requires scorefunction setup for non-ideal minimization.
- constrain_coords(...) from builtins.PyCapsule
- constrain_coords(*args, **kwargs)
Overloaded function.
1. constrain_coords(rosetta.protocols.relax.RelaxProtocolBase) -> bool
2. constrain_coords(self : rosetta.protocols.relax.RelaxProtocolBase, constrain_coords : bool) -> NoneType
- constrain_relax_segments(...) from builtins.PyCapsule
- constrain_relax_segments(*args, **kwargs)
Overloaded function.
1. constrain_relax_segments(rosetta.protocols.relax.RelaxProtocolBase) -> bool
2. constrain_relax_segments(self : rosetta.protocols.relax.RelaxProtocolBase, constrain_relax_segments : bool) -> NoneType
- constrain_relax_to_native_coords(...) from builtins.PyCapsule
- constrain_relax_to_native_coords(*args, **kwargs)
Overloaded function.
1. constrain_relax_to_native_coords(rosetta.protocols.relax.RelaxProtocolBase) -> bool
2. constrain_relax_to_native_coords(self : rosetta.protocols.relax.RelaxProtocolBase, constrain_relax_to_native_coords : bool) -> NoneType
- constrain_relax_to_start_coords(...) from builtins.PyCapsule
- constrain_relax_to_start_coords(*args, **kwargs)
Overloaded function.
1. constrain_relax_to_start_coords(rosetta.protocols.relax.RelaxProtocolBase) -> bool
2. constrain_relax_to_start_coords(self : rosetta.protocols.relax.RelaxProtocolBase, constrain_relax_to_start_coords : bool) -> NoneType
- dry_run(...) from builtins.PyCapsule
- dry_run(*args, **kwargs)
Overloaded function.
1. dry_run(rosetta.protocols.relax.RelaxProtocolBase) -> bool
2. dry_run(self : rosetta.protocols.relax.RelaxProtocolBase, setting : bool) -> NoneType
- explicit_ramp_constraints(...) from builtins.PyCapsule
- explicit_ramp_constraints(rosetta.protocols.relax.RelaxProtocolBase) -> bool
- fresh_instance(...) from builtins.PyCapsule
- fresh_instance(rosetta.protocols.relax.RelaxProtocolBase) -> rosetta.protocols.moves.Mover
- get_movemap(...) from builtins.PyCapsule
- get_movemap(*args, **kwargs)
Overloaded function.
1. get_movemap(rosetta.protocols.relax.RelaxProtocolBase) -> rosetta.core.kinematics.MoveMap
2. get_movemap(rosetta.protocols.relax.RelaxProtocolBase) -> rosetta.core.kinematics.MoveMap
- get_scorefxn(...) from builtins.PyCapsule
- get_scorefxn(rosetta.protocols.relax.RelaxProtocolBase) -> rosetta.core.scoring.ScoreFunction
- get_task_factory(...) from builtins.PyCapsule
- get_task_factory(rosetta.protocols.relax.RelaxProtocolBase) -> rosetta.core.pack.task.TaskFactory
- max_iter(...) from builtins.PyCapsule
- max_iter(*args, **kwargs)
Overloaded function.
1. max_iter(rosetta.protocols.relax.RelaxProtocolBase) -> int
2. max_iter(self : rosetta.protocols.relax.RelaxProtocolBase, max_iter : int) -> NoneType
- min_type(...) from builtins.PyCapsule
- min_type(*args, **kwargs)
Overloaded function.
1. min_type(rosetta.protocols.relax.RelaxProtocolBase) -> str
2. min_type(self : rosetta.protocols.relax.RelaxProtocolBase, min_type : str) -> NoneType
- minimize_bond_angles(...) from builtins.PyCapsule
- minimize_bond_angles(*args, **kwargs)
Overloaded function.
1. minimize_bond_angles(rosetta.protocols.relax.RelaxProtocolBase) -> bool
2. minimize_bond_angles(self : rosetta.protocols.relax.RelaxProtocolBase, minimize_bond_angles : bool) -> NoneType
- minimize_bond_lengths(...) from builtins.PyCapsule
- minimize_bond_lengths(*args, **kwargs)
Overloaded function.
1. minimize_bond_lengths(rosetta.protocols.relax.RelaxProtocolBase) -> bool
2. minimize_bond_lengths(self : rosetta.protocols.relax.RelaxProtocolBase, minimize_bond_lengths : bool) -> NoneType
- ramp_down_constraints(...) from builtins.PyCapsule
- ramp_down_constraints(*args, **kwargs)
Overloaded function.
1. ramp_down_constraints(rosetta.protocols.relax.RelaxProtocolBase) -> bool
2. ramp_down_constraints(self : rosetta.protocols.relax.RelaxProtocolBase, ramp_down_constraints : bool) -> 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
- set_default_coordinate_settings(...) from builtins.PyCapsule
- set_default_coordinate_settings(rosetta.protocols.relax.RelaxProtocolBase) -> NoneType
- set_default_minimization_settings(...) from builtins.PyCapsule
- set_default_minimization_settings(rosetta.protocols.relax.RelaxProtocolBase) -> NoneType
- set_default_movemap(...) from builtins.PyCapsule
- set_default_movemap(rosetta.protocols.relax.RelaxProtocolBase) -> NoneType
- set_defaults(...) from builtins.PyCapsule
- set_defaults(rosetta.protocols.relax.RelaxProtocolBase) -> NoneType
- set_movemap(...) from builtins.PyCapsule
- set_movemap(self : rosetta.protocols.relax.RelaxProtocolBase, movemap : rosetta.core.kinematics.MoveMap) -> NoneType
- set_scorefxn(...) from builtins.PyCapsule
- set_scorefxn(self : rosetta.protocols.relax.RelaxProtocolBase, scorefxn : rosetta.core.scoring.ScoreFunction) -> NoneType
- set_task_factory(...) from builtins.PyCapsule
- set_task_factory(self : rosetta.protocols.relax.RelaxProtocolBase, task_factory : rosetta.core.pack.task.TaskFactory) -> 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
- 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 LocalRelax(rosetta.protocols.moves.Mover) |
| |
- Method resolution order:
- LocalRelax
- 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.relax.LocalRelax) -> 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.relax.LocalRelax, pose : rosetta.core.pose.Pose) -> NoneType
- assign(...) from builtins.PyCapsule
- assign(self : rosetta.protocols.relax.LocalRelax, : rosetta.protocols.relax.LocalRelax) -> rosetta.protocols.relax.LocalRelax
- clone(...) from builtins.PyCapsule
- clone(rosetta.protocols.relax.LocalRelax) -> rosetta.protocols.moves.Mover
return a fresh instance of this class in an owning pointer
- get_name(...) from builtins.PyCapsule
- get_name(rosetta.protocols.relax.LocalRelax) -> str
- get_neighbor_graph(...) from builtins.PyCapsule
- get_neighbor_graph(self : rosetta.protocols.relax.LocalRelax, pose : rosetta.core.pose.Pose, neighbor : rosetta.utility.vector1_utility_vector1_bool_std_allocator_bool_t) -> NoneType
get matrix of interacting residues
- optimization_loop(...) from builtins.PyCapsule
- optimization_loop(self : rosetta.protocols.relax.LocalRelax, pose : rosetta.core.pose.Pose, ptask : rosetta.core.pack.task.PackerTask, mm : rosetta.core.kinematics.MoveMap, : float, : float) -> NoneType
one cycle of local optimization
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
- 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 MiniRelax(RelaxProtocolBase) |
| |
- Method resolution order:
- MiniRelax
- RelaxProtocolBase
- rosetta.protocols.moves.Mover
- builtins.object
Methods defined here:
- __init__(...) from builtins.PyCapsule
- __init__(*args, **kwargs)
Overloaded function.
1. __init__(self : handle, scorefxn_in : rosetta.core.scoring.ScoreFunction) -> NoneType
2. __init__(handle, rosetta.protocols.relax.MiniRelax) -> 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.relax.MiniRelax, pose : rosetta.core.pose.Pose) -> NoneType
- assign(...) from builtins.PyCapsule
- assign(self : rosetta.protocols.relax.MiniRelax, : rosetta.protocols.relax.MiniRelax) -> rosetta.protocols.relax.MiniRelax
- clone(...) from builtins.PyCapsule
- clone(rosetta.protocols.relax.MiniRelax) -> rosetta.protocols.moves.Mover
- get_name(...) from builtins.PyCapsule
- get_name(rosetta.protocols.relax.MiniRelax) -> str
Methods inherited from RelaxProtocolBase:
- apply_disulfides(...) from builtins.PyCapsule
- apply_disulfides(self : rosetta.protocols.relax.RelaxProtocolBase, pose : rosetta.core.pose.Pose) -> NoneType
- cartesian(...) from builtins.PyCapsule
- cartesian(*args, **kwargs)
Overloaded function.
1. cartesian(rosetta.protocols.relax.RelaxProtocolBase) -> bool
2. cartesian(self : rosetta.protocols.relax.RelaxProtocolBase, newval : bool) -> NoneType
Use cartesian (minimization step)
Sets to use the lbfgs_armijo_nonmonotone if true or FR default if false
Recommended to set max_iter to 200.
Requires scorefunction setup for non-ideal minimization.
- constrain_coords(...) from builtins.PyCapsule
- constrain_coords(*args, **kwargs)
Overloaded function.
1. constrain_coords(rosetta.protocols.relax.RelaxProtocolBase) -> bool
2. constrain_coords(self : rosetta.protocols.relax.RelaxProtocolBase, constrain_coords : bool) -> NoneType
- constrain_relax_segments(...) from builtins.PyCapsule
- constrain_relax_segments(*args, **kwargs)
Overloaded function.
1. constrain_relax_segments(rosetta.protocols.relax.RelaxProtocolBase) -> bool
2. constrain_relax_segments(self : rosetta.protocols.relax.RelaxProtocolBase, constrain_relax_segments : bool) -> NoneType
- constrain_relax_to_native_coords(...) from builtins.PyCapsule
- constrain_relax_to_native_coords(*args, **kwargs)
Overloaded function.
1. constrain_relax_to_native_coords(rosetta.protocols.relax.RelaxProtocolBase) -> bool
2. constrain_relax_to_native_coords(self : rosetta.protocols.relax.RelaxProtocolBase, constrain_relax_to_native_coords : bool) -> NoneType
- constrain_relax_to_start_coords(...) from builtins.PyCapsule
- constrain_relax_to_start_coords(*args, **kwargs)
Overloaded function.
1. constrain_relax_to_start_coords(rosetta.protocols.relax.RelaxProtocolBase) -> bool
2. constrain_relax_to_start_coords(self : rosetta.protocols.relax.RelaxProtocolBase, constrain_relax_to_start_coords : bool) -> NoneType
- dry_run(...) from builtins.PyCapsule
- dry_run(*args, **kwargs)
Overloaded function.
1. dry_run(rosetta.protocols.relax.RelaxProtocolBase) -> bool
2. dry_run(self : rosetta.protocols.relax.RelaxProtocolBase, setting : bool) -> NoneType
- explicit_ramp_constraints(...) from builtins.PyCapsule
- explicit_ramp_constraints(rosetta.protocols.relax.RelaxProtocolBase) -> bool
- fresh_instance(...) from builtins.PyCapsule
- fresh_instance(rosetta.protocols.relax.RelaxProtocolBase) -> rosetta.protocols.moves.Mover
- get_movemap(...) from builtins.PyCapsule
- get_movemap(*args, **kwargs)
Overloaded function.
1. get_movemap(rosetta.protocols.relax.RelaxProtocolBase) -> rosetta.core.kinematics.MoveMap
2. get_movemap(rosetta.protocols.relax.RelaxProtocolBase) -> rosetta.core.kinematics.MoveMap
- get_scorefxn(...) from builtins.PyCapsule
- get_scorefxn(rosetta.protocols.relax.RelaxProtocolBase) -> rosetta.core.scoring.ScoreFunction
- get_task_factory(...) from builtins.PyCapsule
- get_task_factory(rosetta.protocols.relax.RelaxProtocolBase) -> rosetta.core.pack.task.TaskFactory
- max_iter(...) from builtins.PyCapsule
- max_iter(*args, **kwargs)
Overloaded function.
1. max_iter(rosetta.protocols.relax.RelaxProtocolBase) -> int
2. max_iter(self : rosetta.protocols.relax.RelaxProtocolBase, max_iter : int) -> NoneType
- min_type(...) from builtins.PyCapsule
- min_type(*args, **kwargs)
Overloaded function.
1. min_type(rosetta.protocols.relax.RelaxProtocolBase) -> str
2. min_type(self : rosetta.protocols.relax.RelaxProtocolBase, min_type : str) -> NoneType
- minimize_bond_angles(...) from builtins.PyCapsule
- minimize_bond_angles(*args, **kwargs)
Overloaded function.
1. minimize_bond_angles(rosetta.protocols.relax.RelaxProtocolBase) -> bool
2. minimize_bond_angles(self : rosetta.protocols.relax.RelaxProtocolBase, minimize_bond_angles : bool) -> NoneType
- minimize_bond_lengths(...) from builtins.PyCapsule
- minimize_bond_lengths(*args, **kwargs)
Overloaded function.
1. minimize_bond_lengths(rosetta.protocols.relax.RelaxProtocolBase) -> bool
2. minimize_bond_lengths(self : rosetta.protocols.relax.RelaxProtocolBase, minimize_bond_lengths : bool) -> NoneType
- ramp_down_constraints(...) from builtins.PyCapsule
- ramp_down_constraints(*args, **kwargs)
Overloaded function.
1. ramp_down_constraints(rosetta.protocols.relax.RelaxProtocolBase) -> bool
2. ramp_down_constraints(self : rosetta.protocols.relax.RelaxProtocolBase, ramp_down_constraints : bool) -> 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
- set_default_coordinate_settings(...) from builtins.PyCapsule
- set_default_coordinate_settings(rosetta.protocols.relax.RelaxProtocolBase) -> NoneType
- set_default_minimization_settings(...) from builtins.PyCapsule
- set_default_minimization_settings(rosetta.protocols.relax.RelaxProtocolBase) -> NoneType
- set_default_movemap(...) from builtins.PyCapsule
- set_default_movemap(rosetta.protocols.relax.RelaxProtocolBase) -> NoneType
- set_defaults(...) from builtins.PyCapsule
- set_defaults(rosetta.protocols.relax.RelaxProtocolBase) -> NoneType
- set_movemap(...) from builtins.PyCapsule
- set_movemap(self : rosetta.protocols.relax.RelaxProtocolBase, movemap : rosetta.core.kinematics.MoveMap) -> NoneType
- set_scorefxn(...) from builtins.PyCapsule
- set_scorefxn(self : rosetta.protocols.relax.RelaxProtocolBase, scorefxn : rosetta.core.scoring.ScoreFunction) -> NoneType
- set_task_factory(...) from builtins.PyCapsule
- set_task_factory(self : rosetta.protocols.relax.RelaxProtocolBase, task_factory : rosetta.core.pack.task.TaskFactory) -> 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
- 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 RangeRelaxMover(rosetta.protocols.moves.Mover) |
| |
- Method resolution order:
- RangeRelaxMover
- 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, center_resnumber : int) -> NoneType
3. __init__(handle, rosetta.protocols.relax.RangeRelaxMover) -> NoneType
- __new__(*args, **kwargs) from builtins.type
- Create and return a new object. See help(type) for accurate signature.
- add_membrane_again(...) from builtins.PyCapsule
- add_membrane_again(self : rosetta.protocols.relax.RangeRelaxMover, yesno : bool) -> NoneType
Run AddMembraneMover before?
If you want to keep your anchor point for MEM, then pick no
This is only needed for the native, not the pose itself
- apply(...) from builtins.PyCapsule
- apply(self : rosetta.protocols.relax.RangeRelaxMover, pose : rosetta.core.pose.Pose) -> NoneType
Run RangeRelax
- assign(...) from builtins.PyCapsule
- assign(self : rosetta.protocols.relax.RangeRelaxMover, src : rosetta.protocols.relax.RangeRelaxMover) -> rosetta.protocols.relax.RangeRelaxMover
Assignment Operator
- get_name(...) from builtins.PyCapsule
- get_name(rosetta.protocols.relax.RangeRelaxMover) -> str
Get the name of this Mover (RangeRelaxMover)
- idealize(...) from builtins.PyCapsule
- idealize(self : rosetta.protocols.relax.RangeRelaxMover, yesno : bool) -> NoneType
Idealize pose after run?
Might lead to better decoy but takes longer
- optimize_membrane(...) from builtins.PyCapsule
- optimize_membrane(self : rosetta.protocols.relax.RangeRelaxMover, yesno : bool) -> NoneType
Optimize membrane
- set_angle_max(...) from builtins.PyCapsule
- set_angle_max(self : rosetta.protocols.relax.RangeRelaxMover, angle_max : float) -> NoneType
Set maximum dihedral angle perturbation
- set_native(...) from builtins.PyCapsule
- set_native(self : rosetta.protocols.relax.RangeRelaxMover, pose : rosetta.core.pose.Pose) -> NoneType
Set native
- set_nmoves(...) from builtins.PyCapsule
- set_nmoves(self : rosetta.protocols.relax.RangeRelaxMover, nmoves : str) -> NoneType
Set number of moves, can be "nres" or a number
- set_scorefunction(...) from builtins.PyCapsule
- set_scorefunction(self : rosetta.protocols.relax.RangeRelaxMover, sfxn : rosetta.core.scoring.ScoreFunction) -> NoneType
Use scorefunction
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 RelaxProtocolBase(rosetta.protocols.moves.Mover) |
| |
- Method resolution order:
- RelaxProtocolBase
- rosetta.protocols.moves.Mover
- builtins.object
Methods defined here:
- __init__(...) from builtins.PyCapsule
- __init__(*args, **kwargs)
Overloaded function.
1. __init__(self : rosetta.protocols.relax.RelaxProtocolBase, : rosetta.core.scoring.ScoreFunction) -> NoneType
2. __init__(rosetta.protocols.relax.RelaxProtocolBase) -> NoneType
doc
3. __init__(self : rosetta.protocols.relax.RelaxProtocolBase, movername : str) -> NoneType
4. __init__(self : rosetta.protocols.relax.RelaxProtocolBase, movername : str, : rosetta.core.scoring.ScoreFunction) -> NoneType
5. __init__(rosetta.protocols.relax.RelaxProtocolBase, rosetta.protocols.relax.RelaxProtocolBase) -> NoneType
- __new__(*args, **kwargs) from builtins.type
- Create and return a new object. See help(type) for accurate signature.
- apply_disulfides(...) from builtins.PyCapsule
- apply_disulfides(self : rosetta.protocols.relax.RelaxProtocolBase, pose : rosetta.core.pose.Pose) -> NoneType
- assign(...) from builtins.PyCapsule
- assign(self : rosetta.protocols.relax.RelaxProtocolBase, : rosetta.protocols.relax.RelaxProtocolBase) -> rosetta.protocols.relax.RelaxProtocolBase
- cartesian(...) from builtins.PyCapsule
- cartesian(*args, **kwargs)
Overloaded function.
1. cartesian(rosetta.protocols.relax.RelaxProtocolBase) -> bool
2. cartesian(self : rosetta.protocols.relax.RelaxProtocolBase, newval : bool) -> NoneType
Use cartesian (minimization step)
Sets to use the lbfgs_armijo_nonmonotone if true or FR default if false
Recommended to set max_iter to 200.
Requires scorefunction setup for non-ideal minimization.
- constrain_coords(...) from builtins.PyCapsule
- constrain_coords(*args, **kwargs)
Overloaded function.
1. constrain_coords(rosetta.protocols.relax.RelaxProtocolBase) -> bool
2. constrain_coords(self : rosetta.protocols.relax.RelaxProtocolBase, constrain_coords : bool) -> NoneType
- constrain_relax_segments(...) from builtins.PyCapsule
- constrain_relax_segments(*args, **kwargs)
Overloaded function.
1. constrain_relax_segments(rosetta.protocols.relax.RelaxProtocolBase) -> bool
2. constrain_relax_segments(self : rosetta.protocols.relax.RelaxProtocolBase, constrain_relax_segments : bool) -> NoneType
- constrain_relax_to_native_coords(...) from builtins.PyCapsule
- constrain_relax_to_native_coords(*args, **kwargs)
Overloaded function.
1. constrain_relax_to_native_coords(rosetta.protocols.relax.RelaxProtocolBase) -> bool
2. constrain_relax_to_native_coords(self : rosetta.protocols.relax.RelaxProtocolBase, constrain_relax_to_native_coords : bool) -> NoneType
- constrain_relax_to_start_coords(...) from builtins.PyCapsule
- constrain_relax_to_start_coords(*args, **kwargs)
Overloaded function.
1. constrain_relax_to_start_coords(rosetta.protocols.relax.RelaxProtocolBase) -> bool
2. constrain_relax_to_start_coords(self : rosetta.protocols.relax.RelaxProtocolBase, constrain_relax_to_start_coords : bool) -> NoneType
- dry_run(...) from builtins.PyCapsule
- dry_run(*args, **kwargs)
Overloaded function.
1. dry_run(rosetta.protocols.relax.RelaxProtocolBase) -> bool
2. dry_run(self : rosetta.protocols.relax.RelaxProtocolBase, setting : bool) -> NoneType
- explicit_ramp_constraints(...) from builtins.PyCapsule
- explicit_ramp_constraints(rosetta.protocols.relax.RelaxProtocolBase) -> bool
- fresh_instance(...) from builtins.PyCapsule
- fresh_instance(rosetta.protocols.relax.RelaxProtocolBase) -> rosetta.protocols.moves.Mover
- get_movemap(...) from builtins.PyCapsule
- get_movemap(*args, **kwargs)
Overloaded function.
1. get_movemap(rosetta.protocols.relax.RelaxProtocolBase) -> rosetta.core.kinematics.MoveMap
2. get_movemap(rosetta.protocols.relax.RelaxProtocolBase) -> rosetta.core.kinematics.MoveMap
- get_scorefxn(...) from builtins.PyCapsule
- get_scorefxn(rosetta.protocols.relax.RelaxProtocolBase) -> rosetta.core.scoring.ScoreFunction
- get_task_factory(...) from builtins.PyCapsule
- get_task_factory(rosetta.protocols.relax.RelaxProtocolBase) -> rosetta.core.pack.task.TaskFactory
- max_iter(...) from builtins.PyCapsule
- max_iter(*args, **kwargs)
Overloaded function.
1. max_iter(rosetta.protocols.relax.RelaxProtocolBase) -> int
2. max_iter(self : rosetta.protocols.relax.RelaxProtocolBase, max_iter : int) -> NoneType
- min_type(...) from builtins.PyCapsule
- min_type(*args, **kwargs)
Overloaded function.
1. min_type(rosetta.protocols.relax.RelaxProtocolBase) -> str
2. min_type(self : rosetta.protocols.relax.RelaxProtocolBase, min_type : str) -> NoneType
- minimize_bond_angles(...) from builtins.PyCapsule
- minimize_bond_angles(*args, **kwargs)
Overloaded function.
1. minimize_bond_angles(rosetta.protocols.relax.RelaxProtocolBase) -> bool
2. minimize_bond_angles(self : rosetta.protocols.relax.RelaxProtocolBase, minimize_bond_angles : bool) -> NoneType
- minimize_bond_lengths(...) from builtins.PyCapsule
- minimize_bond_lengths(*args, **kwargs)
Overloaded function.
1. minimize_bond_lengths(rosetta.protocols.relax.RelaxProtocolBase) -> bool
2. minimize_bond_lengths(self : rosetta.protocols.relax.RelaxProtocolBase, minimize_bond_lengths : bool) -> NoneType
- ramp_down_constraints(...) from builtins.PyCapsule
- ramp_down_constraints(*args, **kwargs)
Overloaded function.
1. ramp_down_constraints(rosetta.protocols.relax.RelaxProtocolBase) -> bool
2. ramp_down_constraints(self : rosetta.protocols.relax.RelaxProtocolBase, ramp_down_constraints : bool) -> 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
- set_default_coordinate_settings(...) from builtins.PyCapsule
- set_default_coordinate_settings(rosetta.protocols.relax.RelaxProtocolBase) -> NoneType
- set_default_minimization_settings(...) from builtins.PyCapsule
- set_default_minimization_settings(rosetta.protocols.relax.RelaxProtocolBase) -> NoneType
- set_default_movemap(...) from builtins.PyCapsule
- set_default_movemap(rosetta.protocols.relax.RelaxProtocolBase) -> NoneType
- set_defaults(...) from builtins.PyCapsule
- set_defaults(rosetta.protocols.relax.RelaxProtocolBase) -> NoneType
- set_movemap(...) from builtins.PyCapsule
- set_movemap(self : rosetta.protocols.relax.RelaxProtocolBase, movemap : rosetta.core.kinematics.MoveMap) -> NoneType
- set_scorefxn(...) from builtins.PyCapsule
- set_scorefxn(self : rosetta.protocols.relax.RelaxProtocolBase, scorefxn : rosetta.core.scoring.ScoreFunction) -> NoneType
- set_task_factory(...) from builtins.PyCapsule
- set_task_factory(self : rosetta.protocols.relax.RelaxProtocolBase, task_factory : rosetta.core.pack.task.TaskFactory) -> NoneType
Methods inherited from rosetta.protocols.moves.Mover:
- apply(...) from builtins.PyCapsule
- apply(self : rosetta.protocols.moves.Mover, : rosetta.core.pose.Pose) -> NoneType
- 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_name(...) from builtins.PyCapsule
- get_name(rosetta.protocols.moves.Mover) -> str
Each derived class must specify its name. The class name.
- 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 WorkUnit_BatchRelax(rosetta.protocols.wum.WorkUnit_SilentStructStore) |
| |
- Method resolution order:
- WorkUnit_BatchRelax
- rosetta.protocols.wum.WorkUnit_SilentStructStore
- rosetta.protocols.wum.WorkUnitBase
- builtins.object
Methods defined here:
- __init__(...) from builtins.PyCapsule
- __init__(*args, **kwargs)
Overloaded function.
1. __init__(handle) -> NoneType
2. __init__(handle, rosetta.protocols.relax.WorkUnit_BatchRelax) -> 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.relax.WorkUnit_BatchRelax, : rosetta.protocols.relax.WorkUnit_BatchRelax) -> rosetta.protocols.relax.WorkUnit_BatchRelax
- clone(...) from builtins.PyCapsule
- clone(rosetta.protocols.relax.WorkUnit_BatchRelax) -> rosetta.protocols.wum.WorkUnitBase
- post_process(...) from builtins.PyCapsule
- post_process(rosetta.protocols.relax.WorkUnit_BatchRelax) -> NoneType
- pre_process(...) from builtins.PyCapsule
- pre_process(rosetta.protocols.relax.WorkUnit_BatchRelax) -> NoneType
- run(...) from builtins.PyCapsule
- run(rosetta.protocols.relax.WorkUnit_BatchRelax) -> NoneType
- set_native_pose(...) from builtins.PyCapsule
- set_native_pose(self : rosetta.protocols.relax.WorkUnit_BatchRelax, native_pose : rosetta.core.pose.Pose) -> NoneType
Methods inherited from rosetta.protocols.wum.WorkUnit_SilentStructStore:
- decoys(...) from builtins.PyCapsule
- decoys(*args, **kwargs)
Overloaded function.
1. decoys(rosetta.protocols.wum.WorkUnit_SilentStructStore) -> rosetta.protocols.wum.SilentStructStore
Accessor for decoy store
2. decoys(rosetta.protocols.wum.WorkUnit_SilentStructStore) -> rosetta.protocols.wum.SilentStructStore
Accessor for decoy store
- deserialize(...) from builtins.PyCapsule
- deserialize(rosetta.protocols.wum.WorkUnit_SilentStructStore) -> NoneType
Make ready for working
- serialize(...) from builtins.PyCapsule
- serialize(rosetta.protocols.wum.WorkUnit_SilentStructStore) -> NoneType
write decoys into serial data store overwritinge whatever was there before. It basically syncs the silent struct store with the derial data
Methods inherited from rosetta.protocols.wum.WorkUnitBase:
- add_blacklist(...) from builtins.PyCapsule
- add_blacklist(self : rosetta.protocols.wum.WorkUnitBase, mpi_rank : int) -> NoneType
Adds to the blacklist
- clear_blacklist(...) from builtins.PyCapsule
- clear_blacklist(rosetta.protocols.wum.WorkUnitBase) -> NoneType
Erases the blacklist
- clear_serial_data(...) from builtins.PyCapsule
- clear_serial_data(rosetta.protocols.wum.WorkUnitBase) -> NoneType
Remove all data, make sure that the memory is also cleared, hence the cals to reserve
- extra_data_1(...) from builtins.PyCapsule
- extra_data_1(rosetta.protocols.wum.WorkUnitBase) -> int
Accessor to the extra_data_1 and 3 field of the header
- extra_data_2(...) from builtins.PyCapsule
- extra_data_2(rosetta.protocols.wum.WorkUnitBase) -> int
- extra_data_3(...) from builtins.PyCapsule
- extra_data_3(rosetta.protocols.wum.WorkUnitBase) -> int
- get_options(...) from builtins.PyCapsule
- get_options(rosetta.protocols.wum.WorkUnitBase) -> str
Optain the options string from the header
- get_run_time(...) from builtins.PyCapsule
- get_run_time(rosetta.protocols.wum.WorkUnitBase) -> int
Returns the differrence between unix start and stop times
- get_wu_type(...) from builtins.PyCapsule
- get_wu_type(rosetta.protocols.wum.WorkUnitBase) -> str
Accessor to header structure, return the WorkUnit Type
- id(...) from builtins.PyCapsule
- id(rosetta.protocols.wum.WorkUnitBase) -> int
Accessor to the ID of the WorkUnit
- in_blacklist(...) from builtins.PyCapsule
- in_blacklist(self : rosetta.protocols.wum.WorkUnitBase, mpi_rank : int) -> bool
Finds in blacklist, true if is, false if it isn't
- last_received_from(...) from builtins.PyCapsule
- last_received_from(rosetta.protocols.wum.WorkUnitBase) -> int
- mem_footprint(...) from builtins.PyCapsule
- mem_footprint(rosetta.protocols.wum.WorkUnitBase) -> int
Return the memory usage of this WorkUnit
- set_extra_data_1(...) from builtins.PyCapsule
- set_extra_data_1(self : rosetta.protocols.wum.WorkUnitBase, value : int) -> NoneType
- set_extra_data_2(...) from builtins.PyCapsule
- set_extra_data_2(self : rosetta.protocols.wum.WorkUnitBase, value : int) -> NoneType
- set_extra_data_3(...) from builtins.PyCapsule
- set_extra_data_3(self : rosetta.protocols.wum.WorkUnitBase, value : int) -> NoneType
- set_options(...) from builtins.PyCapsule
- set_options(self : rosetta.protocols.wum.WorkUnitBase, text : str) -> NoneType
Accesor to the "options" text field
- set_wu_type(...) from builtins.PyCapsule
- set_wu_type(self : rosetta.protocols.wum.WorkUnitBase, text : str) -> NoneType
Accessor to header structure, sets the WorkUnit Type
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class WorkUnit_BatchRelax_and_PostRescore(WorkUnit_BatchRelax) |
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- Method resolution order:
- WorkUnit_BatchRelax_and_PostRescore
- WorkUnit_BatchRelax
- rosetta.protocols.wum.WorkUnit_SilentStructStore
- rosetta.protocols.wum.WorkUnitBase
- builtins.object
Methods defined here:
- __init__(...) from builtins.PyCapsule
- __init__(*args, **kwargs)
Overloaded function.
1. __init__(handle) -> NoneType
2. __init__(handle, rosetta.protocols.relax.WorkUnit_BatchRelax_and_PostRescore) -> 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.relax.WorkUnit_BatchRelax_and_PostRescore, : rosetta.protocols.relax.WorkUnit_BatchRelax_and_PostRescore) -> rosetta.protocols.relax.WorkUnit_BatchRelax_and_PostRescore
- clone(...) from builtins.PyCapsule
- clone(rosetta.protocols.relax.WorkUnit_BatchRelax_and_PostRescore) -> rosetta.protocols.wum.WorkUnitBase
- post_process(...) from builtins.PyCapsule
- post_process(rosetta.protocols.relax.WorkUnit_BatchRelax_and_PostRescore) -> NoneType
- pre_process(...) from builtins.PyCapsule
- pre_process(rosetta.protocols.relax.WorkUnit_BatchRelax_and_PostRescore) -> NoneType
- rescore_all_decoys(...) from builtins.PyCapsule
- rescore_all_decoys(rosetta.protocols.relax.WorkUnit_BatchRelax_and_PostRescore) -> NoneType
- set_defaults(...) from builtins.PyCapsule
- set_defaults(rosetta.protocols.relax.WorkUnit_BatchRelax_and_PostRescore) -> NoneType
Methods inherited from WorkUnit_BatchRelax:
- run(...) from builtins.PyCapsule
- run(rosetta.protocols.relax.WorkUnit_BatchRelax) -> NoneType
- set_native_pose(...) from builtins.PyCapsule
- set_native_pose(self : rosetta.protocols.relax.WorkUnit_BatchRelax, native_pose : rosetta.core.pose.Pose) -> NoneType
Methods inherited from rosetta.protocols.wum.WorkUnit_SilentStructStore:
- decoys(...) from builtins.PyCapsule
- decoys(*args, **kwargs)
Overloaded function.
1. decoys(rosetta.protocols.wum.WorkUnit_SilentStructStore) -> rosetta.protocols.wum.SilentStructStore
Accessor for decoy store
2. decoys(rosetta.protocols.wum.WorkUnit_SilentStructStore) -> rosetta.protocols.wum.SilentStructStore
Accessor for decoy store
- deserialize(...) from builtins.PyCapsule
- deserialize(rosetta.protocols.wum.WorkUnit_SilentStructStore) -> NoneType
Make ready for working
- serialize(...) from builtins.PyCapsule
- serialize(rosetta.protocols.wum.WorkUnit_SilentStructStore) -> NoneType
write decoys into serial data store overwritinge whatever was there before. It basically syncs the silent struct store with the derial data
Methods inherited from rosetta.protocols.wum.WorkUnitBase:
- add_blacklist(...) from builtins.PyCapsule
- add_blacklist(self : rosetta.protocols.wum.WorkUnitBase, mpi_rank : int) -> NoneType
Adds to the blacklist
- clear_blacklist(...) from builtins.PyCapsule
- clear_blacklist(rosetta.protocols.wum.WorkUnitBase) -> NoneType
Erases the blacklist
- clear_serial_data(...) from builtins.PyCapsule
- clear_serial_data(rosetta.protocols.wum.WorkUnitBase) -> NoneType
Remove all data, make sure that the memory is also cleared, hence the cals to reserve
- extra_data_1(...) from builtins.PyCapsule
- extra_data_1(rosetta.protocols.wum.WorkUnitBase) -> int
Accessor to the extra_data_1 and 3 field of the header
- extra_data_2(...) from builtins.PyCapsule
- extra_data_2(rosetta.protocols.wum.WorkUnitBase) -> int
- extra_data_3(...) from builtins.PyCapsule
- extra_data_3(rosetta.protocols.wum.WorkUnitBase) -> int
- get_options(...) from builtins.PyCapsule
- get_options(rosetta.protocols.wum.WorkUnitBase) -> str
Optain the options string from the header
- get_run_time(...) from builtins.PyCapsule
- get_run_time(rosetta.protocols.wum.WorkUnitBase) -> int
Returns the differrence between unix start and stop times
- get_wu_type(...) from builtins.PyCapsule
- get_wu_type(rosetta.protocols.wum.WorkUnitBase) -> str
Accessor to header structure, return the WorkUnit Type
- id(...) from builtins.PyCapsule
- id(rosetta.protocols.wum.WorkUnitBase) -> int
Accessor to the ID of the WorkUnit
- in_blacklist(...) from builtins.PyCapsule
- in_blacklist(self : rosetta.protocols.wum.WorkUnitBase, mpi_rank : int) -> bool
Finds in blacklist, true if is, false if it isn't
- last_received_from(...) from builtins.PyCapsule
- last_received_from(rosetta.protocols.wum.WorkUnitBase) -> int
- mem_footprint(...) from builtins.PyCapsule
- mem_footprint(rosetta.protocols.wum.WorkUnitBase) -> int
Return the memory usage of this WorkUnit
- set_extra_data_1(...) from builtins.PyCapsule
- set_extra_data_1(self : rosetta.protocols.wum.WorkUnitBase, value : int) -> NoneType
- set_extra_data_2(...) from builtins.PyCapsule
- set_extra_data_2(self : rosetta.protocols.wum.WorkUnitBase, value : int) -> NoneType
- set_extra_data_3(...) from builtins.PyCapsule
- set_extra_data_3(self : rosetta.protocols.wum.WorkUnitBase, value : int) -> NoneType
- set_options(...) from builtins.PyCapsule
- set_options(self : rosetta.protocols.wum.WorkUnitBase, text : str) -> NoneType
Accesor to the "options" text field
- set_wu_type(...) from builtins.PyCapsule
- set_wu_type(self : rosetta.protocols.wum.WorkUnitBase, text : str) -> NoneType
Accessor to header structure, sets the WorkUnit Type
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