| |
- builtins.object
-
- KinematicPerturber
-
- BaseTabooPerturber
-
- NeighborDependentTabooSamplingKinematicPerturber
- TabooSamplingKinematicPerturber
- NeighborDependentTorsionSamplingKinematicPerturber
- TorsionRestrictedKinematicPerturber
- TorsionSamplingKinematicPerturber
- TorsionSweepingKinematicPerturber
- VicinitySamplingKinematicPerturber
- rosetta.protocols.moves.Mover(builtins.object)
-
- KinematicMover
- KinematicWrapper
class BaseTabooPerturber(KinematicPerturber) |
|
Taboo-sampling perturber base class, the two variants of which, share much
code in common, but interface with separate Ramachandran potentials. |
|
- Method resolution order:
- BaseTabooPerturber
- KinematicPerturber
- builtins.object
Methods defined here:
- __init__(self, /, *args, **kwargs)
- Initialize self. See help(type(self)) for accurate signature.
- __new__(*args, **kwargs) from builtins.type
- Create and return a new object. See help(type) for accurate signature.
- assign(...) from builtins.PyCapsule
- assign(self : rosetta.protocols.loops.loop_closure.kinematic_closure.BaseTabooPerturber, : rosetta.protocols.loops.loop_closure.kinematic_closure.BaseTabooPerturber) -> rosetta.protocols.loops.loop_closure.kinematic_closure.BaseTabooPerturber
- clear_torsion_string_stack(...) from builtins.PyCapsule
- clear_torsion_string_stack(rosetta.protocols.loops.loop_closure.kinematic_closure.BaseTabooPerturber) -> NoneType
- next_torsion_string(...) from builtins.PyCapsule
- next_torsion_string(rosetta.protocols.loops.loop_closure.kinematic_closure.BaseTabooPerturber) -> rosetta.utility.vector0_core_conformation_ppo_torsion_bin
- num_strings(...) from builtins.PyCapsule
- num_strings(rosetta.protocols.loops.loop_closure.kinematic_closure.BaseTabooPerturber) -> int
- perturb_chain(...) from builtins.PyCapsule
- perturb_chain(self : rosetta.protocols.loops.loop_closure.kinematic_closure.BaseTabooPerturber, pose : rosetta.core.pose.Pose, torsions : rosetta.utility.vector1_double, bond_ang : rosetta.utility.vector1_double, : rosetta.utility.vector1_double) -> NoneType
- set_pose_after_closure(...) from builtins.PyCapsule
- set_pose_after_closure(self : rosetta.protocols.loops.loop_closure.kinematic_closure.BaseTabooPerturber, pose : rosetta.core.pose.Pose, torsions : rosetta.utility.vector1_double, bond_ang : rosetta.utility.vector1_double, bond_len : rosetta.utility.vector1_double, closure_successful : bool) -> NoneType
- set_vary_ca_bond_angles(...) from builtins.PyCapsule
- set_vary_ca_bond_angles(self : rosetta.protocols.loops.loop_closure.kinematic_closure.BaseTabooPerturber, vary_ca_bond_angles : bool) -> NoneType
Methods inherited from KinematicPerturber:
- get_movemap(...) from builtins.PyCapsule
- get_movemap(rosetta.protocols.loops.loop_closure.kinematic_closure.KinematicPerturber) -> rosetta.core.kinematics.MoveMap
- kinmover(...) from builtins.PyCapsule
- kinmover(rosetta.protocols.loops.loop_closure.kinematic_closure.KinematicPerturber) -> rosetta.std.weak_ptr_const_protocols_loops_loop_closure_kinematic_closure_KinematicMover_t
- max_sample_iterations(...) from builtins.PyCapsule
- max_sample_iterations(rosetta.protocols.loops.loop_closure.kinematic_closure.KinematicPerturber) -> int
- perturber_exhausted(...) from builtins.PyCapsule
- perturber_exhausted(rosetta.protocols.loops.loop_closure.kinematic_closure.KinematicPerturber) -> bool
- perturber_type(...) from builtins.PyCapsule
- perturber_type(rosetta.protocols.loops.loop_closure.kinematic_closure.KinematicPerturber) -> str
- set_kinmover(...) from builtins.PyCapsule
- set_kinmover(self : rosetta.protocols.loops.loop_closure.kinematic_closure.KinematicPerturber, kinmover : rosetta.std.weak_ptr_const_protocols_loops_loop_closure_kinematic_closure_KinematicMover_t) -> NoneType
- set_max_sample_iterations(...) from builtins.PyCapsule
- set_max_sample_iterations(self : rosetta.protocols.loops.loop_closure.kinematic_closure.KinematicPerturber, sample_its : int) -> NoneType
- set_movemap(...) from builtins.PyCapsule
- set_movemap(self : rosetta.protocols.loops.loop_closure.kinematic_closure.KinematicPerturber, mm : rosetta.core.kinematics.MoveMap) -> NoneType
|
class KinematicMover(rosetta.protocols.moves.Mover) |
|
A mover class for performing kinematic loop closure on a peptide segment
//////////////////////////////////////////////////////////////////////////// |
|
- Method resolution order:
- KinematicMover
- rosetta.protocols.moves.Mover
- builtins.object
Methods defined here:
- BANGLE_MIN(...) from builtins.PyCapsule
- BANGLE_MIN(rosetta.protocols.loops.loop_closure.kinematic_closure.KinematicMover) -> float
- BANGLE_SD(...) from builtins.PyCapsule
- BANGLE_SD(rosetta.protocols.loops.loop_closure.kinematic_closure.KinematicMover) -> float
- __init__(...) from builtins.PyCapsule
- __init__(*args, **kwargs)
Overloaded function.
1. __init__(handle) -> NoneType
2. __init__(handle, rosetta.protocols.loops.loop_closure.kinematic_closure.KinematicMover) -> NoneType
- __new__(*args, **kwargs) from builtins.type
- Create and return a new object. See help(type) for accurate signature.
- add_filter(...) from builtins.PyCapsule
- add_filter(self : rosetta.protocols.loops.loop_closure.kinematic_closure.KinematicMover, filter : rosetta.protocols.filters.Filter) -> NoneType
- apply(...) from builtins.PyCapsule
- apply(self : rosetta.protocols.loops.loop_closure.kinematic_closure.KinematicMover, : rosetta.core.pose.Pose) -> NoneType
- assign(...) from builtins.PyCapsule
- assign(self : rosetta.protocols.loops.loop_closure.kinematic_closure.KinematicMover, : rosetta.protocols.loops.loop_closure.kinematic_closure.KinematicMover) -> rosetta.protocols.loops.loop_closure.kinematic_closure.KinematicMover
- check_rama(...) from builtins.PyCapsule
- check_rama(self : rosetta.protocols.loops.loop_closure.kinematic_closure.KinematicMover, old_rama_score : float, new_rama_score : float) -> bool
- clear_filters(...) from builtins.PyCapsule
- clear_filters(rosetta.protocols.loops.loop_closure.kinematic_closure.KinematicMover) -> NoneType
- count_bb_atoms(...) from builtins.PyCapsule
- count_bb_atoms(self : rosetta.protocols.loops.loop_closure.kinematic_closure.KinematicMover, pose : rosetta.core.pose.Pose, start_res : int, end_res : int) -> int
- count_bb_atoms_in_residue(...) from builtins.PyCapsule
- count_bb_atoms_in_residue(self : rosetta.protocols.loops.loop_closure.kinematic_closure.KinematicMover, pose : rosetta.core.pose.Pose, position : int) -> int
- end_res(...) from builtins.PyCapsule
- end_res(rosetta.protocols.loops.loop_closure.kinematic_closure.KinematicMover) -> int
- frequency_in_taboo_map(...) from builtins.PyCapsule
- frequency_in_taboo_map(self : rosetta.protocols.loops.loop_closure.kinematic_closure.KinematicMover, pos : int, : rosetta.core.conformation.ppo_torsion_bin) -> float
- get_bb_atoms_for_residue(...) from builtins.PyCapsule
- get_bb_atoms_for_residue(self : rosetta.protocols.loops.loop_closure.kinematic_closure.KinematicMover, res : rosetta.core.conformation.Residue, bb_atom_index : int) -> str
- get_bump_overlap_factor(...) from builtins.PyCapsule
- get_bump_overlap_factor(rosetta.protocols.loops.loop_closure.kinematic_closure.KinematicMover) -> float
- get_bumpcheck_atom_count_for_residue(...) from builtins.PyCapsule
- get_bumpcheck_atom_count_for_residue(self : rosetta.protocols.loops.loop_closure.kinematic_closure.KinematicMover, rsd : rosetta.core.conformation.Residue) -> int
- get_bumpcheck_atoms_for_residue(...) from builtins.PyCapsule
- get_bumpcheck_atoms_for_residue(self : rosetta.protocols.loops.loop_closure.kinematic_closure.KinematicMover, rsd : rosetta.core.conformation.Residue, bumpcheck_atom_index : int) -> str
- get_hardsphere_bump_check(...) from builtins.PyCapsule
- get_hardsphere_bump_check(rosetta.protocols.loops.loop_closure.kinematic_closure.KinematicMover) -> bool
- get_idealize_loop_first(...) from builtins.PyCapsule
- get_idealize_loop_first(rosetta.protocols.loops.loop_closure.kinematic_closure.KinematicMover) -> bool
- get_loop_sequence(...) from builtins.PyCapsule
- get_loop_sequence(rosetta.protocols.loops.loop_closure.kinematic_closure.KinematicMover) -> rosetta.utility.vector1_core_chemical_AA
- get_name(...) from builtins.PyCapsule
- get_name(rosetta.protocols.loops.loop_closure.kinematic_closure.KinematicMover) -> str
- get_rama_check(...) from builtins.PyCapsule
- get_rama_check(rosetta.protocols.loops.loop_closure.kinematic_closure.KinematicMover) -> bool
- get_sample_nonpivot_torsions(...) from builtins.PyCapsule
- get_sample_nonpivot_torsions(rosetta.protocols.loops.loop_closure.kinematic_closure.KinematicMover) -> bool
- get_vary_bondangles(...) from builtins.PyCapsule
- get_vary_bondangles(rosetta.protocols.loops.loop_closure.kinematic_closure.KinematicMover) -> bool
- insert_sampled_torsion_string_into_taboo_map(...) from builtins.PyCapsule
- insert_sampled_torsion_string_into_taboo_map(self : rosetta.protocols.loops.loop_closure.kinematic_closure.KinematicMover, ts : rosetta.utility.vector0_core_conformation_ppo_torsion_bin) -> NoneType
- is_beta_aminoacid(...) from builtins.PyCapsule
- is_beta_aminoacid(self : rosetta.protocols.loops.loop_closure.kinematic_closure.KinematicMover, res : rosetta.core.conformation.Residue) -> bool
- is_in_taboo_map(...) from builtins.PyCapsule
- is_in_taboo_map(self : rosetta.protocols.loops.loop_closure.kinematic_closure.KinematicMover, ts : rosetta.utility.vector0_core_conformation_ppo_torsion_bin) -> bool
- last_move_succeeded(...) from builtins.PyCapsule
- last_move_succeeded(rosetta.protocols.loops.loop_closure.kinematic_closure.KinematicMover) -> bool
- loop_begin(...) from builtins.PyCapsule
- loop_begin(rosetta.protocols.loops.loop_closure.kinematic_closure.KinematicMover) -> int
- loop_end(...) from builtins.PyCapsule
- loop_end(rosetta.protocols.loops.loop_closure.kinematic_closure.KinematicMover) -> int
- middle_res(...) from builtins.PyCapsule
- middle_res(rosetta.protocols.loops.loop_closure.kinematic_closure.KinematicMover) -> int
- perturber(...) from builtins.PyCapsule
- perturber(rosetta.protocols.loops.loop_closure.kinematic_closure.KinematicMover) -> rosetta.protocols.loops.loop_closure.kinematic_closure.KinematicPerturber
- segment_length(...) from builtins.PyCapsule
- segment_length(rosetta.protocols.loops.loop_closure.kinematic_closure.KinematicMover) -> int
- set_bump_overlap_factor(...) from builtins.PyCapsule
- set_bump_overlap_factor(self : rosetta.protocols.loops.loop_closure.kinematic_closure.KinematicMover, bump_overlap_factor : float) -> NoneType
- set_do_sfxn_eval_every_iteration(...) from builtins.PyCapsule
- set_do_sfxn_eval_every_iteration(self : rosetta.protocols.loops.loop_closure.kinematic_closure.KinematicMover, do_sfxn_eval : bool) -> NoneType
- set_filters(...) from builtins.PyCapsule
- set_filters(self : rosetta.protocols.loops.loop_closure.kinematic_closure.KinematicMover, filters_in : rosetta.utility.vector1_std_shared_ptr_const_protocols_filters_Filter_t) -> NoneType
- set_hardsphere_bump_check(...) from builtins.PyCapsule
- set_hardsphere_bump_check(self : rosetta.protocols.loops.loop_closure.kinematic_closure.KinematicMover, do_bump_check : bool) -> NoneType
- set_idealize_loop_first(...) from builtins.PyCapsule
- set_idealize_loop_first(self : rosetta.protocols.loops.loop_closure.kinematic_closure.KinematicMover, idealize : bool) -> NoneType
- set_loop_begin_and_end(...) from builtins.PyCapsule
- set_loop_begin_and_end(self : rosetta.protocols.loops.loop_closure.kinematic_closure.KinematicMover, loop_begin : int, loop_end : int) -> NoneType
- set_nonpivot_bb_torsion_id(...) from builtins.PyCapsule
- set_nonpivot_bb_torsion_id(self : rosetta.protocols.loops.loop_closure.kinematic_closure.KinematicMover, bbtorids : rosetta.utility.vector1_unsigned_long) -> NoneType
- set_nonpivot_res_to_sweep(...) from builtins.PyCapsule
- set_nonpivot_res_to_sweep(self : rosetta.protocols.loops.loop_closure.kinematic_closure.KinematicMover, resids : rosetta.utility.vector1_unsigned_long) -> NoneType
- set_perturber(...) from builtins.PyCapsule
- set_perturber(self : rosetta.protocols.loops.loop_closure.kinematic_closure.KinematicMover, perturber_in : rosetta.protocols.loops.loop_closure.kinematic_closure.KinematicPerturber) -> NoneType
- set_pivots(...) from builtins.PyCapsule
- set_pivots(self : rosetta.protocols.loops.loop_closure.kinematic_closure.KinematicMover, start_res : int, middle_res : int, end_res : int) -> NoneType
- set_rama_check(...) from builtins.PyCapsule
- set_rama_check(self : rosetta.protocols.loops.loop_closure.kinematic_closure.KinematicMover, do_rama_check : bool) -> NoneType
- set_sample_nonpivot_torsions(...) from builtins.PyCapsule
- set_sample_nonpivot_torsions(self : rosetta.protocols.loops.loop_closure.kinematic_closure.KinematicMover, sample : bool) -> NoneType
- set_sfxn(...) from builtins.PyCapsule
- set_sfxn(self : rosetta.protocols.loops.loop_closure.kinematic_closure.KinematicMover, sfxn_in : rosetta.core.scoring.ScoreFunction) -> NoneType
- set_sweep_nonpivot_torsions(...) from builtins.PyCapsule
- set_sweep_nonpivot_torsions(self : rosetta.protocols.loops.loop_closure.kinematic_closure.KinematicMover, sweep : bool) -> NoneType
- set_sweep_nsteps(...) from builtins.PyCapsule
- set_sweep_nsteps(self : rosetta.protocols.loops.loop_closure.kinematic_closure.KinematicMover, nsteps : rosetta.utility.vector1_unsigned_long) -> NoneType
- set_sweep_start_angle(...) from builtins.PyCapsule
- set_sweep_start_angle(self : rosetta.protocols.loops.loop_closure.kinematic_closure.KinematicMover, angles_in_degrees : rosetta.utility.vector1_double) -> NoneType
- set_sweep_step_size(...) from builtins.PyCapsule
- set_sweep_step_size(self : rosetta.protocols.loops.loop_closure.kinematic_closure.KinematicMover, angle_steps_in_degrees : rosetta.utility.vector1_double) -> NoneType
- set_temperature(...) from builtins.PyCapsule
- set_temperature(self : rosetta.protocols.loops.loop_closure.kinematic_closure.KinematicMover, temp_in : float) -> NoneType
- set_vary_bondangles(...) from builtins.PyCapsule
- set_vary_bondangles(self : rosetta.protocols.loops.loop_closure.kinematic_closure.KinematicMover, vary : bool) -> NoneType
- start_res(...) from builtins.PyCapsule
- start_res(rosetta.protocols.loops.loop_closure.kinematic_closure.KinematicMover) -> int
- sweep_incomplete(...) from builtins.PyCapsule
- sweep_incomplete(rosetta.protocols.loops.loop_closure.kinematic_closure.KinematicMover) -> bool
returns true as long as the Lexicographical iterator has not covered all
angles -- useful in a while-loop.
- torsion_features_string(...) from builtins.PyCapsule
- torsion_features_string(self : rosetta.protocols.loops.loop_closure.kinematic_closure.KinematicMover, pose : rosetta.core.pose.Pose) -> rosetta.utility.vector0_core_conformation_ppo_torsion_bin
- update_sequence(...) from builtins.PyCapsule
- update_sequence(self : rosetta.protocols.loops.loop_closure.kinematic_closure.KinematicMover, sequence : rosetta.utility.vector1_core_chemical_AA) -> NoneType
Methods inherited from rosetta.protocols.moves.Mover:
- clear_info(...) from builtins.PyCapsule
- clear_info(rosetta.protocols.moves.Mover) -> NoneType
Strings container can be used to return miscellaneous info (as std::string) from a mover, such as notes about the results of apply(). The job distributor (Apr 09 vintage) will check this function to see if your protocol wants to add string info to the Job that ran this mover. One way this can be useful is that later, a JobOutputter may include/append this info to an output file.
clear_info is called by jd2 before calling apply
- clone(...) from builtins.PyCapsule
- clone(rosetta.protocols.moves.Mover) -> rosetta.protocols.moves.Mover
Return a clone of the Mover object.
- create(...) from builtins.PyCapsule
- create(rosetta.protocols.moves.Mover) -> rosetta.protocols.moves.Mover
- fresh_instance(...) from builtins.PyCapsule
- fresh_instance(rosetta.protocols.moves.Mover) -> rosetta.protocols.moves.Mover
Generates a new Mover object freshly created with the default ctor.
- get_additional_output(...) from builtins.PyCapsule
- get_additional_output(rosetta.protocols.moves.Mover) -> rosetta.core.pose.Pose
fpd
Mechanism by which a mover may return multiple output poses from a single input pose.
- get_current_job(...) from builtins.PyCapsule
- get_current_job(rosetta.protocols.moves.Mover) -> protocols::jobdist::BasicJob
- get_current_tag(...) from builtins.PyCapsule
- get_current_tag(rosetta.protocols.moves.Mover) -> str
A tag is a unique identifier used to identify structures produced
by this Mover. get_current_tag() returns the tag, and set_current_tag( std::string tag )
sets the tag. This functionality is not intended for use with the 2008 job distributor.
- get_input_pose(...) from builtins.PyCapsule
- get_input_pose(rosetta.protocols.moves.Mover) -> rosetta.core.pose.Pose
- get_last_move_status(...) from builtins.PyCapsule
- get_last_move_status(rosetta.protocols.moves.Mover) -> rosetta.protocols.moves.MoverStatus
returns status after an apply(). The job distributor (august 08 vintage) will check this function to see if your protocol wants to filter its results - if your protocol wants to say "that run was no good, skip it" then use the protected last_move_status(MoverStatus) to change the value that this function will return.
- get_native_pose(...) from builtins.PyCapsule
- get_native_pose(rosetta.protocols.moves.Mover) -> rosetta.core.pose.Pose
- get_self_ptr(...) from builtins.PyCapsule
- get_self_ptr(*args, **kwargs)
Overloaded function.
1. get_self_ptr(rosetta.protocols.moves.Mover) -> rosetta.protocols.moves.Mover
2. get_self_ptr(rosetta.protocols.moves.Mover) -> rosetta.protocols.moves.Mover
- get_self_weak_ptr(...) from builtins.PyCapsule
- get_self_weak_ptr(*args, **kwargs)
Overloaded function.
1. get_self_weak_ptr(rosetta.protocols.moves.Mover) -> rosetta.std.weak_ptr_const_protocols_moves_Mover_t
2. get_self_weak_ptr(rosetta.protocols.moves.Mover) -> rosetta.std.weak_ptr_protocols_moves_Mover_t
- get_type(...) from builtins.PyCapsule
- get_type(rosetta.protocols.moves.Mover) -> str
- info(...) from builtins.PyCapsule
- info(*args, **kwargs)
Overloaded function.
1. info(rosetta.protocols.moves.Mover) -> rosetta.std.list_std_string_std_allocator_std_string_t
non-const accessor
2. info(rosetta.protocols.moves.Mover) -> rosetta.std.list_std_string_std_allocator_std_string_t
const accessor
- last_proposal_density_ratio(...) from builtins.PyCapsule
- last_proposal_density_ratio(rosetta.protocols.moves.Mover) -> float
- name(...) from builtins.PyCapsule
- name() -> str
- register_options(...) from builtins.PyCapsule
- register_options(*args, **kwargs)
Overloaded function.
1. register_options() -> NoneType
Overload this static method if you access options within the mover.
These options will end up in -help of your application if users of this mover call register_options.
Do this recursively!
If you use movers within your mover, call their register_options in your register_options() method.
2. register_options() -> NoneType
3. register_options() -> NoneType
4. register_options() -> NoneType
5. register_options() -> NoneType
6. register_options() -> NoneType
7. register_options() -> NoneType
8. register_options() -> NoneType
9. register_options() -> NoneType
Associates relevant options with the AntibodyModeler class
10. register_options() -> NoneType
Associates relevant options with the AntibodyModeler class
11. register_options() -> NoneType
Associates relevant options with the SnugDock class
12. register_options() -> NoneType
Associates relevant options with the SnugDockProtocol class
13. register_options() -> NoneType
Register the options used by this mover with the global options
system.
14. register_options() -> NoneType
15. register_options() -> NoneType
Associate relevant options with the TemperedDocking class.
16. register_options() -> NoneType
17. register_options() -> NoneType
18. register_options() -> NoneType
Associates relevant options with the TemperedDocking class.
19. register_options() -> NoneType
20. register_options() -> NoneType
Associates relevant options with the ConstraintSetMover class
21. register_options() -> NoneType
22. register_options() -> NoneType
Associates relevant options with the DockingInitialPerturbation class
23. register_options() -> NoneType
Associates relevant options with the DockingProtocol class
24. register_options() -> NoneType
Associates relevant options with the TemperedDocking class
25. register_options() -> NoneType
26. register_options() -> NoneType
27. register_options() -> NoneType
28. register_options() -> NoneType
register options
29. register_options() -> NoneType
30. register_options() -> NoneType
Registers applicable options
31. register_options() -> NoneType
Register options with the option system.
32. register_options() -> NoneType
33. register_options() -> NoneType
34. register_options() -> NoneType
Associates relevant options with the LoopRefineInnerCycle class
35. register_options() -> NoneType
Associates relevant options with the LoopRefineInnerCycleContainer class
36. register_options() -> NoneType
Associates relevant options with the LoopRefineInnerCycle class
37. register_options() -> NoneType
Associates relevant options with the LoopRefineInnerCycle class
38. register_options() -> NoneType
39. register_options() -> NoneType
Register options with the option system.
40. register_options() -> NoneType
- reinitialize_for_each_job(...) from builtins.PyCapsule
- reinitialize_for_each_job(rosetta.protocols.moves.Mover) -> bool
Inform the Job Distributor (August '08 vintage) whether this object needs to be freshly regenerated on
each use.
- reinitialize_for_new_input(...) from builtins.PyCapsule
- reinitialize_for_new_input(rosetta.protocols.moves.Mover) -> bool
Inform the Job Distributor (August '08 vintage) whether this object needs to be regenerated when the input
pose is about to change, (for example, if the Mover has special code on the first apply() that is only valid for
that one input pose).
- reset_status(...) from builtins.PyCapsule
- reset_status(rosetta.protocols.moves.Mover) -> NoneType
resets status to SUCCESS, meant to be used before an apply(). The job distributor (august 08 vintage) uses this to ensure non-accumulation of status across apply()s.
- set_current_job(...) from builtins.PyCapsule
- set_current_job(self : rosetta.protocols.moves.Mover, job : protocols::jobdist::BasicJob) -> NoneType
////////////////////////////end Job Distributor interface////////////////////////////////////////
- set_current_tag(...) from builtins.PyCapsule
- set_current_tag(self : rosetta.protocols.moves.Mover, new_tag : str) -> NoneType
- set_input_pose(...) from builtins.PyCapsule
- set_input_pose(self : rosetta.protocols.moves.Mover, pose : rosetta.core.pose.Pose) -> NoneType
setter for poses contained for rms
- set_native_pose(...) from builtins.PyCapsule
- set_native_pose(self : rosetta.protocols.moves.Mover, pose : rosetta.core.pose.Pose) -> NoneType
setter for native poses contained for rms ---- we should get rid of this method? it is widely used, but a bit unsafe
- set_type(...) from builtins.PyCapsule
- set_type(self : rosetta.protocols.moves.Mover, setting : str) -> NoneType
- test_move(...) from builtins.PyCapsule
- test_move(self : rosetta.protocols.moves.Mover, pose : rosetta.core.pose.Pose) -> NoneType
: Unit test support function. Apply one move to a given pose.
Allows extra test specific functions to be called before applying
- type(...) from builtins.PyCapsule
- type(*args, **kwargs)
Overloaded function.
1. type(rosetta.protocols.moves.Mover) -> str
2. type(self : rosetta.protocols.moves.Mover, type_in : str) -> NoneType
|
class KinematicPerturber(builtins.object) |
|
pure virtual base class for KinematicPerturber. KinematicPerturbers determine HOW loops should be perturbed. The base class contains a provision for determining WHERE they should be perturbed: MoveMap sensitivity. |
|
Methods defined here:
- __init__(...) from builtins.PyCapsule
- __init__(*args, **kwargs)
Overloaded function.
1. __init__(rosetta.protocols.loops.loop_closure.kinematic_closure.KinematicPerturber) -> NoneType
2. __init__(rosetta.protocols.loops.loop_closure.kinematic_closure.KinematicPerturber, rosetta.protocols.loops.loop_closure.kinematic_closure.KinematicPerturber) -> NoneType
- __new__(*args, **kwargs) from builtins.type
- Create and return a new object. See help(type) for accurate signature.
- assign(...) from builtins.PyCapsule
- assign(self : rosetta.protocols.loops.loop_closure.kinematic_closure.KinematicPerturber, : rosetta.protocols.loops.loop_closure.kinematic_closure.KinematicPerturber) -> rosetta.protocols.loops.loop_closure.kinematic_closure.KinematicPerturber
- clear_torsion_string_stack(...) from builtins.PyCapsule
- clear_torsion_string_stack(rosetta.protocols.loops.loop_closure.kinematic_closure.KinematicPerturber) -> NoneType
- get_movemap(...) from builtins.PyCapsule
- get_movemap(rosetta.protocols.loops.loop_closure.kinematic_closure.KinematicPerturber) -> rosetta.core.kinematics.MoveMap
- kinmover(...) from builtins.PyCapsule
- kinmover(rosetta.protocols.loops.loop_closure.kinematic_closure.KinematicPerturber) -> rosetta.std.weak_ptr_const_protocols_loops_loop_closure_kinematic_closure_KinematicMover_t
- max_sample_iterations(...) from builtins.PyCapsule
- max_sample_iterations(rosetta.protocols.loops.loop_closure.kinematic_closure.KinematicPerturber) -> int
- perturb_chain(...) from builtins.PyCapsule
- perturb_chain(self : rosetta.protocols.loops.loop_closure.kinematic_closure.KinematicPerturber, pose : rosetta.core.pose.Pose, torsions : rosetta.utility.vector1_double, bond_ang : rosetta.utility.vector1_double, bond_len : rosetta.utility.vector1_double) -> NoneType
function that perturbs the chain, i.e. sets new values
for the torsions, bond angles and bond lengths
note: the torsions/angles/lengths that are input to this
function will be identical to the ones in the pose,
i.e. only the dof values that are explicitly set by
this function plus the pivots will have changed after loop closure
- perturber_exhausted(...) from builtins.PyCapsule
- perturber_exhausted(rosetta.protocols.loops.loop_closure.kinematic_closure.KinematicPerturber) -> bool
- perturber_type(...) from builtins.PyCapsule
- perturber_type(rosetta.protocols.loops.loop_closure.kinematic_closure.KinematicPerturber) -> str
- set_kinmover(...) from builtins.PyCapsule
- set_kinmover(self : rosetta.protocols.loops.loop_closure.kinematic_closure.KinematicPerturber, kinmover : rosetta.std.weak_ptr_const_protocols_loops_loop_closure_kinematic_closure_KinematicMover_t) -> NoneType
- set_max_sample_iterations(...) from builtins.PyCapsule
- set_max_sample_iterations(self : rosetta.protocols.loops.loop_closure.kinematic_closure.KinematicPerturber, sample_its : int) -> NoneType
- set_movemap(...) from builtins.PyCapsule
- set_movemap(self : rosetta.protocols.loops.loop_closure.kinematic_closure.KinematicPerturber, mm : rosetta.core.kinematics.MoveMap) -> NoneType
- set_pose_after_closure(...) from builtins.PyCapsule
- set_pose_after_closure(self : rosetta.protocols.loops.loop_closure.kinematic_closure.KinematicPerturber, pose : rosetta.core.pose.Pose, torsions : rosetta.utility.vector1_double, : rosetta.utility.vector1_double, : rosetta.utility.vector1_double, : bool) -> NoneType
after the kinmover has closed the loop, the perturber needs
to put the solutions into the pose
note: the base class version of this function sets the torsions,
so any KinematicPerturber that only changes the torsions will not have
to implement this function
|
class KinematicWrapper(rosetta.protocols.moves.Mover) |
|
This class extends KinematicMover by composition (has-a KinematicMover). The idea is to make KinematicMover useful when ONLY the apply() function is available (as in MoverContainers, etc.). It will reapply KinematicMover until the KinematicMover reports a success. This class uses searches through loop begin/middle/end points while searching for solutions. You can pass a MoveMap; it will refuse to put pivots where the MoveMap is not mobile. |
|
- Method resolution order:
- KinematicWrapper
- rosetta.protocols.moves.Mover
- builtins.object
Methods defined here:
- __init__(...) from builtins.PyCapsule
- __init__(*args, **kwargs)
Overloaded function.
1. __init__(handle, rosetta.protocols.loops.loop_closure.kinematic_closure.KinematicMover, rosetta.protocols.loops.Loop) -> NoneType
doc
2. __init__(self : handle, kinmover_in : rosetta.protocols.loops.loop_closure.kinematic_closure.KinematicMover, loop : rosetta.protocols.loops.Loop, cycles : int) -> NoneType
3. __init__(handle, rosetta.protocols.loops.loop_closure.kinematic_closure.KinematicMover, int, int) -> NoneType
doc
4. __init__(self : handle, kinmover_in : rosetta.protocols.loops.loop_closure.kinematic_closure.KinematicMover, loop_begin : int, loop_end : int, cycles : int) -> NoneType
5. __init__(handle, rosetta.protocols.loops.loop_closure.kinematic_closure.KinematicWrapper) -> NoneType
- __new__(*args, **kwargs) from builtins.type
- Create and return a new object. See help(type) for accurate signature.
- apply(...) from builtins.PyCapsule
- apply(self : rosetta.protocols.loops.loop_closure.kinematic_closure.KinematicWrapper, pose : rosetta.core.pose.Pose) -> NoneType
re-applies KinematicMover with different pivots until success
- get_name(...) from builtins.PyCapsule
- get_name(rosetta.protocols.loops.loop_closure.kinematic_closure.KinematicWrapper) -> str
- respect_this_movemap(...) from builtins.PyCapsule
- respect_this_movemap(self : rosetta.protocols.loops.loop_closure.kinematic_closure.KinematicWrapper, mm : rosetta.core.kinematics.MoveMap) -> NoneType
this function derives the allowed_positions_ vector from mm and the loop begin/end
Methods inherited from rosetta.protocols.moves.Mover:
- assign(...) from builtins.PyCapsule
- assign(self : rosetta.protocols.moves.Mover, other : rosetta.protocols.moves.Mover) -> 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 NeighborDependentTabooSamplingKinematicPerturber(BaseTabooPerturber) |
|
Neighbor-dependent Taboo-sampling kinematic perturber (still samples randomly, but only
within a given torsion bin; the Taboo sampler ensures that this torsion bin is varied in each
iteration) that uses neighbor-dependent Ramachandran distributions (rama2b)
Amelie Stein
Mon May 21 11:39:26 PDT 2012 |
|
- Method resolution order:
- NeighborDependentTabooSamplingKinematicPerturber
- BaseTabooPerturber
- KinematicPerturber
- builtins.object
Methods defined here:
- __init__(...) from builtins.PyCapsule
- __init__(self : handle, kinmover_in : rosetta.std.weak_ptr_const_protocols_loops_loop_closure_kinematic_closure_KinematicMover_t) -> NoneType
- __new__(*args, **kwargs) from builtins.type
- Create and return a new object. See help(type) for accurate signature.
- perturber_type(...) from builtins.PyCapsule
- perturber_type(rosetta.protocols.loops.loop_closure.kinematic_closure.NeighborDependentTabooSamplingKinematicPerturber) -> str
Methods inherited from BaseTabooPerturber:
- assign(...) from builtins.PyCapsule
- assign(self : rosetta.protocols.loops.loop_closure.kinematic_closure.BaseTabooPerturber, : rosetta.protocols.loops.loop_closure.kinematic_closure.BaseTabooPerturber) -> rosetta.protocols.loops.loop_closure.kinematic_closure.BaseTabooPerturber
- clear_torsion_string_stack(...) from builtins.PyCapsule
- clear_torsion_string_stack(rosetta.protocols.loops.loop_closure.kinematic_closure.BaseTabooPerturber) -> NoneType
- next_torsion_string(...) from builtins.PyCapsule
- next_torsion_string(rosetta.protocols.loops.loop_closure.kinematic_closure.BaseTabooPerturber) -> rosetta.utility.vector0_core_conformation_ppo_torsion_bin
- num_strings(...) from builtins.PyCapsule
- num_strings(rosetta.protocols.loops.loop_closure.kinematic_closure.BaseTabooPerturber) -> int
- perturb_chain(...) from builtins.PyCapsule
- perturb_chain(self : rosetta.protocols.loops.loop_closure.kinematic_closure.BaseTabooPerturber, pose : rosetta.core.pose.Pose, torsions : rosetta.utility.vector1_double, bond_ang : rosetta.utility.vector1_double, : rosetta.utility.vector1_double) -> NoneType
- set_pose_after_closure(...) from builtins.PyCapsule
- set_pose_after_closure(self : rosetta.protocols.loops.loop_closure.kinematic_closure.BaseTabooPerturber, pose : rosetta.core.pose.Pose, torsions : rosetta.utility.vector1_double, bond_ang : rosetta.utility.vector1_double, bond_len : rosetta.utility.vector1_double, closure_successful : bool) -> NoneType
- set_vary_ca_bond_angles(...) from builtins.PyCapsule
- set_vary_ca_bond_angles(self : rosetta.protocols.loops.loop_closure.kinematic_closure.BaseTabooPerturber, vary_ca_bond_angles : bool) -> NoneType
Methods inherited from KinematicPerturber:
- get_movemap(...) from builtins.PyCapsule
- get_movemap(rosetta.protocols.loops.loop_closure.kinematic_closure.KinematicPerturber) -> rosetta.core.kinematics.MoveMap
- kinmover(...) from builtins.PyCapsule
- kinmover(rosetta.protocols.loops.loop_closure.kinematic_closure.KinematicPerturber) -> rosetta.std.weak_ptr_const_protocols_loops_loop_closure_kinematic_closure_KinematicMover_t
- max_sample_iterations(...) from builtins.PyCapsule
- max_sample_iterations(rosetta.protocols.loops.loop_closure.kinematic_closure.KinematicPerturber) -> int
- perturber_exhausted(...) from builtins.PyCapsule
- perturber_exhausted(rosetta.protocols.loops.loop_closure.kinematic_closure.KinematicPerturber) -> bool
- set_kinmover(...) from builtins.PyCapsule
- set_kinmover(self : rosetta.protocols.loops.loop_closure.kinematic_closure.KinematicPerturber, kinmover : rosetta.std.weak_ptr_const_protocols_loops_loop_closure_kinematic_closure_KinematicMover_t) -> NoneType
- set_max_sample_iterations(...) from builtins.PyCapsule
- set_max_sample_iterations(self : rosetta.protocols.loops.loop_closure.kinematic_closure.KinematicPerturber, sample_its : int) -> NoneType
- set_movemap(...) from builtins.PyCapsule
- set_movemap(self : rosetta.protocols.loops.loop_closure.kinematic_closure.KinematicPerturber, mm : rosetta.core.kinematics.MoveMap) -> NoneType
|
class NeighborDependentTorsionSamplingKinematicPerturber(KinematicPerturber) |
|
Amelie Stein
neighbor-dependent torsion sampling kinematic perturber -- uses rama2b for phi/psi lookup |
|
- Method resolution order:
- NeighborDependentTorsionSamplingKinematicPerturber
- KinematicPerturber
- builtins.object
Methods defined here:
- __init__(...) from builtins.PyCapsule
- __init__(self : handle, kinmover_in : rosetta.std.weak_ptr_const_protocols_loops_loop_closure_kinematic_closure_KinematicMover_t) -> NoneType
- __new__(*args, **kwargs) from builtins.type
- Create and return a new object. See help(type) for accurate signature.
- perturb_chain(...) from builtins.PyCapsule
- perturb_chain(self : rosetta.protocols.loops.loop_closure.kinematic_closure.NeighborDependentTorsionSamplingKinematicPerturber, pose : rosetta.core.pose.Pose, torsions : rosetta.utility.vector1_double, bond_ang : rosetta.utility.vector1_double, : rosetta.utility.vector1_double) -> NoneType
- perturber_type(...) from builtins.PyCapsule
- perturber_type(rosetta.protocols.loops.loop_closure.kinematic_closure.NeighborDependentTorsionSamplingKinematicPerturber) -> str
- set_pose_after_closure(...) from builtins.PyCapsule
- set_pose_after_closure(self : rosetta.protocols.loops.loop_closure.kinematic_closure.NeighborDependentTorsionSamplingKinematicPerturber, pose : rosetta.core.pose.Pose, torsions : rosetta.utility.vector1_double, bond_ang : rosetta.utility.vector1_double, bond_len : rosetta.utility.vector1_double, closure_successful : bool) -> NoneType
- set_vary_ca_bond_angles(...) from builtins.PyCapsule
- set_vary_ca_bond_angles(self : rosetta.protocols.loops.loop_closure.kinematic_closure.NeighborDependentTorsionSamplingKinematicPerturber, vary_ca_bond_angles : bool) -> NoneType
Methods inherited from KinematicPerturber:
- assign(...) from builtins.PyCapsule
- assign(self : rosetta.protocols.loops.loop_closure.kinematic_closure.KinematicPerturber, : rosetta.protocols.loops.loop_closure.kinematic_closure.KinematicPerturber) -> rosetta.protocols.loops.loop_closure.kinematic_closure.KinematicPerturber
- clear_torsion_string_stack(...) from builtins.PyCapsule
- clear_torsion_string_stack(rosetta.protocols.loops.loop_closure.kinematic_closure.KinematicPerturber) -> NoneType
- get_movemap(...) from builtins.PyCapsule
- get_movemap(rosetta.protocols.loops.loop_closure.kinematic_closure.KinematicPerturber) -> rosetta.core.kinematics.MoveMap
- kinmover(...) from builtins.PyCapsule
- kinmover(rosetta.protocols.loops.loop_closure.kinematic_closure.KinematicPerturber) -> rosetta.std.weak_ptr_const_protocols_loops_loop_closure_kinematic_closure_KinematicMover_t
- max_sample_iterations(...) from builtins.PyCapsule
- max_sample_iterations(rosetta.protocols.loops.loop_closure.kinematic_closure.KinematicPerturber) -> int
- perturber_exhausted(...) from builtins.PyCapsule
- perturber_exhausted(rosetta.protocols.loops.loop_closure.kinematic_closure.KinematicPerturber) -> bool
- set_kinmover(...) from builtins.PyCapsule
- set_kinmover(self : rosetta.protocols.loops.loop_closure.kinematic_closure.KinematicPerturber, kinmover : rosetta.std.weak_ptr_const_protocols_loops_loop_closure_kinematic_closure_KinematicMover_t) -> NoneType
- set_max_sample_iterations(...) from builtins.PyCapsule
- set_max_sample_iterations(self : rosetta.protocols.loops.loop_closure.kinematic_closure.KinematicPerturber, sample_its : int) -> NoneType
- set_movemap(...) from builtins.PyCapsule
- set_movemap(self : rosetta.protocols.loops.loop_closure.kinematic_closure.KinematicPerturber, mm : rosetta.core.kinematics.MoveMap) -> NoneType
|
class TabooSamplingKinematicPerturber(BaseTabooPerturber) |
|
Taboo-sampling kinematic perturber (still samples randomly, but only within a specific torsion bin, and
the Taboo sampler ensures that this torsion bin is varied in each iteration)
Amelie Stein |
|
- Method resolution order:
- TabooSamplingKinematicPerturber
- BaseTabooPerturber
- KinematicPerturber
- builtins.object
Methods defined here:
- __init__(...) from builtins.PyCapsule
- __init__(self : handle, kinmover_in : rosetta.std.weak_ptr_const_protocols_loops_loop_closure_kinematic_closure_KinematicMover_t) -> NoneType
- __new__(*args, **kwargs) from builtins.type
- Create and return a new object. See help(type) for accurate signature.
- perturber_type(...) from builtins.PyCapsule
- perturber_type(rosetta.protocols.loops.loop_closure.kinematic_closure.TabooSamplingKinematicPerturber) -> str
Methods inherited from BaseTabooPerturber:
- assign(...) from builtins.PyCapsule
- assign(self : rosetta.protocols.loops.loop_closure.kinematic_closure.BaseTabooPerturber, : rosetta.protocols.loops.loop_closure.kinematic_closure.BaseTabooPerturber) -> rosetta.protocols.loops.loop_closure.kinematic_closure.BaseTabooPerturber
- clear_torsion_string_stack(...) from builtins.PyCapsule
- clear_torsion_string_stack(rosetta.protocols.loops.loop_closure.kinematic_closure.BaseTabooPerturber) -> NoneType
- next_torsion_string(...) from builtins.PyCapsule
- next_torsion_string(rosetta.protocols.loops.loop_closure.kinematic_closure.BaseTabooPerturber) -> rosetta.utility.vector0_core_conformation_ppo_torsion_bin
- num_strings(...) from builtins.PyCapsule
- num_strings(rosetta.protocols.loops.loop_closure.kinematic_closure.BaseTabooPerturber) -> int
- perturb_chain(...) from builtins.PyCapsule
- perturb_chain(self : rosetta.protocols.loops.loop_closure.kinematic_closure.BaseTabooPerturber, pose : rosetta.core.pose.Pose, torsions : rosetta.utility.vector1_double, bond_ang : rosetta.utility.vector1_double, : rosetta.utility.vector1_double) -> NoneType
- set_pose_after_closure(...) from builtins.PyCapsule
- set_pose_after_closure(self : rosetta.protocols.loops.loop_closure.kinematic_closure.BaseTabooPerturber, pose : rosetta.core.pose.Pose, torsions : rosetta.utility.vector1_double, bond_ang : rosetta.utility.vector1_double, bond_len : rosetta.utility.vector1_double, closure_successful : bool) -> NoneType
- set_vary_ca_bond_angles(...) from builtins.PyCapsule
- set_vary_ca_bond_angles(self : rosetta.protocols.loops.loop_closure.kinematic_closure.BaseTabooPerturber, vary_ca_bond_angles : bool) -> NoneType
Methods inherited from KinematicPerturber:
- get_movemap(...) from builtins.PyCapsule
- get_movemap(rosetta.protocols.loops.loop_closure.kinematic_closure.KinematicPerturber) -> rosetta.core.kinematics.MoveMap
- kinmover(...) from builtins.PyCapsule
- kinmover(rosetta.protocols.loops.loop_closure.kinematic_closure.KinematicPerturber) -> rosetta.std.weak_ptr_const_protocols_loops_loop_closure_kinematic_closure_KinematicMover_t
- max_sample_iterations(...) from builtins.PyCapsule
- max_sample_iterations(rosetta.protocols.loops.loop_closure.kinematic_closure.KinematicPerturber) -> int
- perturber_exhausted(...) from builtins.PyCapsule
- perturber_exhausted(rosetta.protocols.loops.loop_closure.kinematic_closure.KinematicPerturber) -> bool
- set_kinmover(...) from builtins.PyCapsule
- set_kinmover(self : rosetta.protocols.loops.loop_closure.kinematic_closure.KinematicPerturber, kinmover : rosetta.std.weak_ptr_const_protocols_loops_loop_closure_kinematic_closure_KinematicMover_t) -> NoneType
- set_max_sample_iterations(...) from builtins.PyCapsule
- set_max_sample_iterations(self : rosetta.protocols.loops.loop_closure.kinematic_closure.KinematicPerturber, sample_its : int) -> NoneType
- set_movemap(...) from builtins.PyCapsule
- set_movemap(self : rosetta.protocols.loops.loop_closure.kinematic_closure.KinematicPerturber, mm : rosetta.core.kinematics.MoveMap) -> NoneType
|
class TorsionRestrictedKinematicPerturber(KinematicPerturber) |
|
torsion-restricted kinematic perturber (still samples randomly, but only within a given torsion bin)
Amelie Stein |
|
- Method resolution order:
- TorsionRestrictedKinematicPerturber
- KinematicPerturber
- builtins.object
Methods defined here:
- __init__(...) from builtins.PyCapsule
- __init__(self : handle, kinmover_in : rosetta.std.weak_ptr_const_protocols_loops_loop_closure_kinematic_closure_KinematicMover_t, torsion_bins : rosetta.utility.vector0_core_conformation_ppo_torsion_bin) -> NoneType
- __new__(*args, **kwargs) from builtins.type
- Create and return a new object. See help(type) for accurate signature.
- perturb_chain(...) from builtins.PyCapsule
- perturb_chain(self : rosetta.protocols.loops.loop_closure.kinematic_closure.TorsionRestrictedKinematicPerturber, pose : rosetta.core.pose.Pose, torsions : rosetta.utility.vector1_double, bond_ang : rosetta.utility.vector1_double, : rosetta.utility.vector1_double) -> NoneType
- perturber_type(...) from builtins.PyCapsule
- perturber_type(rosetta.protocols.loops.loop_closure.kinematic_closure.TorsionRestrictedKinematicPerturber) -> str
- set_pose_after_closure(...) from builtins.PyCapsule
- set_pose_after_closure(self : rosetta.protocols.loops.loop_closure.kinematic_closure.TorsionRestrictedKinematicPerturber, pose : rosetta.core.pose.Pose, torsions : rosetta.utility.vector1_double, bond_ang : rosetta.utility.vector1_double, bond_len : rosetta.utility.vector1_double, closure_successful : bool) -> NoneType
- set_vary_ca_bond_angles(...) from builtins.PyCapsule
- set_vary_ca_bond_angles(self : rosetta.protocols.loops.loop_closure.kinematic_closure.TorsionRestrictedKinematicPerturber, vary_ca_bond_angles : bool) -> NoneType
Methods inherited from KinematicPerturber:
- assign(...) from builtins.PyCapsule
- assign(self : rosetta.protocols.loops.loop_closure.kinematic_closure.KinematicPerturber, : rosetta.protocols.loops.loop_closure.kinematic_closure.KinematicPerturber) -> rosetta.protocols.loops.loop_closure.kinematic_closure.KinematicPerturber
- clear_torsion_string_stack(...) from builtins.PyCapsule
- clear_torsion_string_stack(rosetta.protocols.loops.loop_closure.kinematic_closure.KinematicPerturber) -> NoneType
- get_movemap(...) from builtins.PyCapsule
- get_movemap(rosetta.protocols.loops.loop_closure.kinematic_closure.KinematicPerturber) -> rosetta.core.kinematics.MoveMap
- kinmover(...) from builtins.PyCapsule
- kinmover(rosetta.protocols.loops.loop_closure.kinematic_closure.KinematicPerturber) -> rosetta.std.weak_ptr_const_protocols_loops_loop_closure_kinematic_closure_KinematicMover_t
- max_sample_iterations(...) from builtins.PyCapsule
- max_sample_iterations(rosetta.protocols.loops.loop_closure.kinematic_closure.KinematicPerturber) -> int
- perturber_exhausted(...) from builtins.PyCapsule
- perturber_exhausted(rosetta.protocols.loops.loop_closure.kinematic_closure.KinematicPerturber) -> bool
- set_kinmover(...) from builtins.PyCapsule
- set_kinmover(self : rosetta.protocols.loops.loop_closure.kinematic_closure.KinematicPerturber, kinmover : rosetta.std.weak_ptr_const_protocols_loops_loop_closure_kinematic_closure_KinematicMover_t) -> NoneType
- set_max_sample_iterations(...) from builtins.PyCapsule
- set_max_sample_iterations(self : rosetta.protocols.loops.loop_closure.kinematic_closure.KinematicPerturber, sample_its : int) -> NoneType
- set_movemap(...) from builtins.PyCapsule
- set_movemap(self : rosetta.protocols.loops.loop_closure.kinematic_closure.KinematicPerturber, mm : rosetta.core.kinematics.MoveMap) -> NoneType
|
class TorsionSamplingKinematicPerturber(KinematicPerturber) |
|
torsion sampling kinematic perturber |
|
- Method resolution order:
- TorsionSamplingKinematicPerturber
- KinematicPerturber
- builtins.object
Methods defined here:
- __init__(...) from builtins.PyCapsule
- __init__(self : handle, kinmover_in : rosetta.std.weak_ptr_const_protocols_loops_loop_closure_kinematic_closure_KinematicMover_t) -> NoneType
- __new__(*args, **kwargs) from builtins.type
- Create and return a new object. See help(type) for accurate signature.
- initialize_betaresidue_minima(...) from builtins.PyCapsule
- initialize_betaresidue_minima(self : rosetta.protocols.loops.loop_closure.kinematic_closure.TorsionSamplingKinematicPerturber, philist : rosetta.utility.vector1_double, thetalist : rosetta.utility.vector1_double, psilist : rosetta.utility.vector1_double, mode : int) -> NoneType
Initialize positions of minima in the beta-amino acid Ramachandran cube.
- perturb_beta_residue(...) from builtins.PyCapsule
- perturb_beta_residue(self : rosetta.protocols.loops.loop_closure.kinematic_closure.TorsionSamplingKinematicPerturber, phi : float, theta : float, psi : float, beta_residue_type : int) -> NoneType
Varies torsions of a beta-amino acid residue based on minimia in the beta-amino acid Ramachandran cube. This randomly picks a minimum, then chooses phi/theta/psi values randomly in a Gaussian centered in that minimum.
- perturb_chain(...) from builtins.PyCapsule
- perturb_chain(self : rosetta.protocols.loops.loop_closure.kinematic_closure.TorsionSamplingKinematicPerturber, pose : rosetta.core.pose.Pose, torsions : rosetta.utility.vector1_double, bond_ang : rosetta.utility.vector1_double, : rosetta.utility.vector1_double) -> NoneType
varies torsions always and bond angles sometimes. Currently torsion varying will respect a movemap if present; angles do NOT look for a movemap.
- perturber_type(...) from builtins.PyCapsule
- perturber_type(rosetta.protocols.loops.loop_closure.kinematic_closure.TorsionSamplingKinematicPerturber) -> str
- set_pose_after_closure(...) from builtins.PyCapsule
- set_pose_after_closure(self : rosetta.protocols.loops.loop_closure.kinematic_closure.TorsionSamplingKinematicPerturber, pose : rosetta.core.pose.Pose, torsions : rosetta.utility.vector1_double, bond_ang : rosetta.utility.vector1_double, bond_len : rosetta.utility.vector1_double, closure_successful : bool) -> NoneType
- set_vary_ca_bond_angles(...) from builtins.PyCapsule
- set_vary_ca_bond_angles(self : rosetta.protocols.loops.loop_closure.kinematic_closure.TorsionSamplingKinematicPerturber, vary_ca_bond_angles : bool) -> NoneType
Methods inherited from KinematicPerturber:
- assign(...) from builtins.PyCapsule
- assign(self : rosetta.protocols.loops.loop_closure.kinematic_closure.KinematicPerturber, : rosetta.protocols.loops.loop_closure.kinematic_closure.KinematicPerturber) -> rosetta.protocols.loops.loop_closure.kinematic_closure.KinematicPerturber
- clear_torsion_string_stack(...) from builtins.PyCapsule
- clear_torsion_string_stack(rosetta.protocols.loops.loop_closure.kinematic_closure.KinematicPerturber) -> NoneType
- get_movemap(...) from builtins.PyCapsule
- get_movemap(rosetta.protocols.loops.loop_closure.kinematic_closure.KinematicPerturber) -> rosetta.core.kinematics.MoveMap
- kinmover(...) from builtins.PyCapsule
- kinmover(rosetta.protocols.loops.loop_closure.kinematic_closure.KinematicPerturber) -> rosetta.std.weak_ptr_const_protocols_loops_loop_closure_kinematic_closure_KinematicMover_t
- max_sample_iterations(...) from builtins.PyCapsule
- max_sample_iterations(rosetta.protocols.loops.loop_closure.kinematic_closure.KinematicPerturber) -> int
- perturber_exhausted(...) from builtins.PyCapsule
- perturber_exhausted(rosetta.protocols.loops.loop_closure.kinematic_closure.KinematicPerturber) -> bool
- set_kinmover(...) from builtins.PyCapsule
- set_kinmover(self : rosetta.protocols.loops.loop_closure.kinematic_closure.KinematicPerturber, kinmover : rosetta.std.weak_ptr_const_protocols_loops_loop_closure_kinematic_closure_KinematicMover_t) -> NoneType
- set_max_sample_iterations(...) from builtins.PyCapsule
- set_max_sample_iterations(self : rosetta.protocols.loops.loop_closure.kinematic_closure.KinematicPerturber, sample_its : int) -> NoneType
- set_movemap(...) from builtins.PyCapsule
- set_movemap(self : rosetta.protocols.loops.loop_closure.kinematic_closure.KinematicPerturber, mm : rosetta.core.kinematics.MoveMap) -> NoneType
|
class TorsionSweepingKinematicPerturber(KinematicPerturber) |
|
Here's some commentary on why the TorsionSweepingKinematicPerturber is Fun and Awesome to use! Basically, you take the loop as given and search for solutions nearby. Its purpose is not to produce large changes, but instead to produce small perturbations to find the bottom of the current energy well. It's not meant to be used for the original KIC protocol, in which the pivots are changed regularly: you can't sweep through nonpivot torsion space if the pivots don't stay the same. |
|
- Method resolution order:
- TorsionSweepingKinematicPerturber
- KinematicPerturber
- builtins.object
Methods defined here:
- __init__(...) from builtins.PyCapsule
- __init__(*args, **kwargs)
Overloaded function.
1. __init__(handle) -> NoneType
2. __init__(handle, rosetta.protocols.loops.loop_closure.kinematic_closure.TorsionSweepingKinematicPerturber) -> NoneType
- __new__(*args, **kwargs) from builtins.type
- Create and return a new object. See help(type) for accurate signature.
- assign(...) from builtins.PyCapsule
- assign(self : rosetta.protocols.loops.loop_closure.kinematic_closure.TorsionSweepingKinematicPerturber, : rosetta.protocols.loops.loop_closure.kinematic_closure.TorsionSweepingKinematicPerturber) -> rosetta.protocols.loops.loop_closure.kinematic_closure.TorsionSweepingKinematicPerturber
- perturb_chain(...) from builtins.PyCapsule
- perturb_chain(self : rosetta.protocols.loops.loop_closure.kinematic_closure.TorsionSweepingKinematicPerturber, pose : rosetta.core.pose.Pose, torsions : rosetta.utility.vector1_double, bond_ang : rosetta.utility.vector1_double, : rosetta.utility.vector1_double) -> NoneType
movemap control NOT IMPLEMENTED in TorsionSweepingKP. It is also NOT NEEDED because you can use set_nonpivot_res_to_sweep instead.
- perturber_exhausted(...) from builtins.PyCapsule
- perturber_exhausted(rosetta.protocols.loops.loop_closure.kinematic_closure.TorsionSweepingKinematicPerturber) -> bool
- perturber_type(...) from builtins.PyCapsule
- perturber_type(rosetta.protocols.loops.loop_closure.kinematic_closure.TorsionSweepingKinematicPerturber) -> str
- set_nonpivot_bb_torsion_id(...) from builtins.PyCapsule
- set_nonpivot_bb_torsion_id(self : rosetta.protocols.loops.loop_closure.kinematic_closure.TorsionSweepingKinematicPerturber, bbtorids : rosetta.utility.vector1_unsigned_long) -> NoneType
- set_nonpivot_res_to_sweep(...) from builtins.PyCapsule
- set_nonpivot_res_to_sweep(self : rosetta.protocols.loops.loop_closure.kinematic_closure.TorsionSweepingKinematicPerturber, resids : rosetta.utility.vector1_unsigned_long) -> NoneType
- set_sweep_nsteps(...) from builtins.PyCapsule
- set_sweep_nsteps(self : rosetta.protocols.loops.loop_closure.kinematic_closure.TorsionSweepingKinematicPerturber, nsteps : rosetta.utility.vector1_unsigned_long) -> NoneType
- set_sweep_start_angle(...) from builtins.PyCapsule
- set_sweep_start_angle(self : rosetta.protocols.loops.loop_closure.kinematic_closure.TorsionSweepingKinematicPerturber, angles_in_degrees : rosetta.utility.vector1_double) -> NoneType
- set_sweep_step_size(...) from builtins.PyCapsule
- set_sweep_step_size(self : rosetta.protocols.loops.loop_closure.kinematic_closure.TorsionSweepingKinematicPerturber, angle_steps_in_degrees : rosetta.utility.vector1_double) -> NoneType
Methods inherited from KinematicPerturber:
- clear_torsion_string_stack(...) from builtins.PyCapsule
- clear_torsion_string_stack(rosetta.protocols.loops.loop_closure.kinematic_closure.KinematicPerturber) -> NoneType
- get_movemap(...) from builtins.PyCapsule
- get_movemap(rosetta.protocols.loops.loop_closure.kinematic_closure.KinematicPerturber) -> rosetta.core.kinematics.MoveMap
- kinmover(...) from builtins.PyCapsule
- kinmover(rosetta.protocols.loops.loop_closure.kinematic_closure.KinematicPerturber) -> rosetta.std.weak_ptr_const_protocols_loops_loop_closure_kinematic_closure_KinematicMover_t
- max_sample_iterations(...) from builtins.PyCapsule
- max_sample_iterations(rosetta.protocols.loops.loop_closure.kinematic_closure.KinematicPerturber) -> int
- set_kinmover(...) from builtins.PyCapsule
- set_kinmover(self : rosetta.protocols.loops.loop_closure.kinematic_closure.KinematicPerturber, kinmover : rosetta.std.weak_ptr_const_protocols_loops_loop_closure_kinematic_closure_KinematicMover_t) -> NoneType
- set_max_sample_iterations(...) from builtins.PyCapsule
- set_max_sample_iterations(self : rosetta.protocols.loops.loop_closure.kinematic_closure.KinematicPerturber, sample_its : int) -> NoneType
- set_movemap(...) from builtins.PyCapsule
- set_movemap(self : rosetta.protocols.loops.loop_closure.kinematic_closure.KinematicPerturber, mm : rosetta.core.kinematics.MoveMap) -> NoneType
- set_pose_after_closure(...) from builtins.PyCapsule
- set_pose_after_closure(self : rosetta.protocols.loops.loop_closure.kinematic_closure.KinematicPerturber, pose : rosetta.core.pose.Pose, torsions : rosetta.utility.vector1_double, : rosetta.utility.vector1_double, : rosetta.utility.vector1_double, : bool) -> NoneType
after the kinmover has closed the loop, the perturber needs
to put the solutions into the pose
note: the base class version of this function sets the torsions,
so any KinematicPerturber that only changes the torsions will not have
to implement this function
|
class VicinitySamplingKinematicPerturber(KinematicPerturber) |
|
vicinity sampling kinematic perturber
Amelie Stein (just the refactoring) |
|
- Method resolution order:
- VicinitySamplingKinematicPerturber
- KinematicPerturber
- builtins.object
Methods defined here:
- __init__(...) from builtins.PyCapsule
- __init__(self : handle, kinmover_in : rosetta.std.weak_ptr_const_protocols_loops_loop_closure_kinematic_closure_KinematicMover_t) -> NoneType
- __new__(*args, **kwargs) from builtins.type
- Create and return a new object. See help(type) for accurate signature.
- assign(...) from builtins.PyCapsule
- assign(self : rosetta.protocols.loops.loop_closure.kinematic_closure.VicinitySamplingKinematicPerturber, : rosetta.protocols.loops.loop_closure.kinematic_closure.VicinitySamplingKinematicPerturber) -> rosetta.protocols.loops.loop_closure.kinematic_closure.VicinitySamplingKinematicPerturber
- perturb_chain(...) from builtins.PyCapsule
- perturb_chain(self : rosetta.protocols.loops.loop_closure.kinematic_closure.VicinitySamplingKinematicPerturber, pose : rosetta.core.pose.Pose, torsions : rosetta.utility.vector1_double, bond_ang : rosetta.utility.vector1_double, : rosetta.utility.vector1_double) -> NoneType
varies torsions always and bond angles sometimes. Currently torsion varying will respect a movemap if present; angles do NOT look for a movemap. -- note that the analytic closure and pivot selection currently do not respect movemaps though
- perturber_type(...) from builtins.PyCapsule
- perturber_type(rosetta.protocols.loops.loop_closure.kinematic_closure.VicinitySamplingKinematicPerturber) -> str
- set_degree_vicinity(...) from builtins.PyCapsule
- set_degree_vicinity(self : rosetta.protocols.loops.loop_closure.kinematic_closure.VicinitySamplingKinematicPerturber, degree_vicinity : float) -> NoneType
- set_pose_after_closure(...) from builtins.PyCapsule
- set_pose_after_closure(self : rosetta.protocols.loops.loop_closure.kinematic_closure.VicinitySamplingKinematicPerturber, pose : rosetta.core.pose.Pose, torsions : rosetta.utility.vector1_double, bond_ang : rosetta.utility.vector1_double, bond_len : rosetta.utility.vector1_double, closure_successful : bool) -> NoneType
- set_vary_ca_bond_angles(...) from builtins.PyCapsule
- set_vary_ca_bond_angles(self : rosetta.protocols.loops.loop_closure.kinematic_closure.VicinitySamplingKinematicPerturber, vary_ca_bond_angles : bool) -> NoneType
Methods inherited from KinematicPerturber:
- clear_torsion_string_stack(...) from builtins.PyCapsule
- clear_torsion_string_stack(rosetta.protocols.loops.loop_closure.kinematic_closure.KinematicPerturber) -> NoneType
- get_movemap(...) from builtins.PyCapsule
- get_movemap(rosetta.protocols.loops.loop_closure.kinematic_closure.KinematicPerturber) -> rosetta.core.kinematics.MoveMap
- kinmover(...) from builtins.PyCapsule
- kinmover(rosetta.protocols.loops.loop_closure.kinematic_closure.KinematicPerturber) -> rosetta.std.weak_ptr_const_protocols_loops_loop_closure_kinematic_closure_KinematicMover_t
- max_sample_iterations(...) from builtins.PyCapsule
- max_sample_iterations(rosetta.protocols.loops.loop_closure.kinematic_closure.KinematicPerturber) -> int
- perturber_exhausted(...) from builtins.PyCapsule
- perturber_exhausted(rosetta.protocols.loops.loop_closure.kinematic_closure.KinematicPerturber) -> bool
- set_kinmover(...) from builtins.PyCapsule
- set_kinmover(self : rosetta.protocols.loops.loop_closure.kinematic_closure.KinematicPerturber, kinmover : rosetta.std.weak_ptr_const_protocols_loops_loop_closure_kinematic_closure_KinematicMover_t) -> NoneType
- set_max_sample_iterations(...) from builtins.PyCapsule
- set_max_sample_iterations(self : rosetta.protocols.loops.loop_closure.kinematic_closure.KinematicPerturber, sample_its : int) -> NoneType
- set_movemap(...) from builtins.PyCapsule
- set_movemap(self : rosetta.protocols.loops.loop_closure.kinematic_closure.KinematicPerturber, mm : rosetta.core.kinematics.MoveMap) -> NoneType
| |