kinematic_closure¶
Bindings for protocols::loops::loop_closure::kinematic_closure namespace
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class
pyrosetta.rosetta.protocols.loops.loop_closure.kinematic_closure.
BaseTabooPerturber
¶ Bases:
pyrosetta.rosetta.protocols.loops.loop_closure.kinematic_closure.KinematicPerturber
Taboo-sampling perturber base class, the two variants of which, share much code in common, but interface with separate Ramachandran potentials.
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__delattr__
¶ Implement delattr(self, name).
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__dir__
() → list¶ default dir() implementation
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__eq__
¶ Return self==value.
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__format__
()¶ default object formatter
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__ge__
¶ Return self>=value.
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__getattribute__
¶ Return getattr(self, name).
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__gt__
¶ Return self>value.
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__hash__
¶ Return hash(self).
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__init__
¶ Initialize self. See help(type(self)) for accurate signature.
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__init_subclass__
()¶ This method is called when a class is subclassed.
The default implementation does nothing. It may be overridden to extend subclasses.
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__le__
¶ Return self<=value.
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__lt__
¶ Return self<value.
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__ne__
¶ Return self!=value.
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__new__
()¶ Create and return a new object. See help(type) for accurate signature.
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__reduce__
()¶ helper for pickle
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__reduce_ex__
()¶ helper for pickle
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__repr__
¶ Return repr(self).
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__setattr__
¶ Implement setattr(self, name, value).
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__sizeof__
() → int¶ size of object in memory, in bytes
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__str__
¶ Return str(self).
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__subclasshook__
()¶ Abstract classes can override this to customize issubclass().
This is invoked early on by abc.ABCMeta.__subclasscheck__(). It should return True, False or NotImplemented. If it returns NotImplemented, the normal algorithm is used. Otherwise, it overrides the normal algorithm (and the outcome is cached).
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assign
(self: pyrosetta.rosetta.protocols.loops.loop_closure.kinematic_closure.BaseTabooPerturber, : pyrosetta.rosetta.protocols.loops.loop_closure.kinematic_closure.BaseTabooPerturber) → pyrosetta.rosetta.protocols.loops.loop_closure.kinematic_closure.BaseTabooPerturber¶ C++: protocols::loops::loop_closure::kinematic_closure::BaseTabooPerturber::operator=(const class protocols::loops::loop_closure::kinematic_closure::BaseTabooPerturber &) –> class protocols::loops::loop_closure::kinematic_closure::BaseTabooPerturber &
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clear_torsion_string_stack
(self: pyrosetta.rosetta.protocols.loops.loop_closure.kinematic_closure.BaseTabooPerturber) → None¶ C++: protocols::loops::loop_closure::kinematic_closure::BaseTabooPerturber::clear_torsion_string_stack() –> void
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get_movemap
(self: pyrosetta.rosetta.protocols.loops.loop_closure.kinematic_closure.KinematicPerturber) → pyrosetta.rosetta.core.kinematics.MoveMap¶ C++: protocols::loops::loop_closure::kinematic_closure::KinematicPerturber::get_movemap() const –> class std::shared_ptr<const class core::kinematics::MoveMap>
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kinmover
(self: pyrosetta.rosetta.protocols.loops.loop_closure.kinematic_closure.KinematicPerturber) → pyrosetta.rosetta.std.weak_ptr_const_protocols_loops_loop_closure_kinematic_closure_KinematicMover_t¶ C++: protocols::loops::loop_closure::kinematic_closure::KinematicPerturber::kinmover() const –> class std::weak_ptr<const class protocols::loops::loop_closure::kinematic_closure::KinematicMover>
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max_sample_iterations
(self: pyrosetta.rosetta.protocols.loops.loop_closure.kinematic_closure.KinematicPerturber) → int¶ C++: protocols::loops::loop_closure::kinematic_closure::KinematicPerturber::max_sample_iterations() const –> unsigned long
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next_torsion_string
(self: pyrosetta.rosetta.protocols.loops.loop_closure.kinematic_closure.BaseTabooPerturber) → pyrosetta.rosetta.utility.vector0_core_conformation_ppo_torsion_bin¶ C++: protocols::loops::loop_closure::kinematic_closure::BaseTabooPerturber::next_torsion_string() –> class utility::vector0<enum core::conformation::ppo_torsion_bin, class std::allocator<enum core::conformation::ppo_torsion_bin> >
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num_strings
(self: pyrosetta.rosetta.protocols.loops.loop_closure.kinematic_closure.BaseTabooPerturber) → int¶ C++: protocols::loops::loop_closure::kinematic_closure::BaseTabooPerturber::num_strings() const –> unsigned long
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perturb_chain
(self: pyrosetta.rosetta.protocols.loops.loop_closure.kinematic_closure.BaseTabooPerturber, pose: pyrosetta.rosetta.core.pose.Pose, torsions: pyrosetta.rosetta.utility.vector1_double, bond_ang: pyrosetta.rosetta.utility.vector1_double, : pyrosetta.rosetta.utility.vector1_double) → None¶ C++: protocols::loops::loop_closure::kinematic_closure::BaseTabooPerturber::perturb_chain(const class core::pose::Pose &, class utility::vector1<double, class std::allocator<double> > &, class utility::vector1<double, class std::allocator<double> > &, class utility::vector1<double, class std::allocator<double> > &) –> void
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perturber_exhausted
(self: pyrosetta.rosetta.protocols.loops.loop_closure.kinematic_closure.KinematicPerturber) → bool¶ C++: protocols::loops::loop_closure::kinematic_closure::KinematicPerturber::perturber_exhausted() const –> bool
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perturber_type
(self: pyrosetta.rosetta.protocols.loops.loop_closure.kinematic_closure.KinematicPerturber) → str¶ C++: protocols::loops::loop_closure::kinematic_closure::KinematicPerturber::perturber_type() const –> std::string
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set_kinmover
(self: pyrosetta.rosetta.protocols.loops.loop_closure.kinematic_closure.KinematicPerturber, kinmover: pyrosetta.rosetta.std.weak_ptr_const_protocols_loops_loop_closure_kinematic_closure_KinematicMover_t) → None¶ C++: protocols::loops::loop_closure::kinematic_closure::KinematicPerturber::set_kinmover(class std::weak_ptr<const class protocols::loops::loop_closure::kinematic_closure::KinematicMover>) –> void
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set_max_sample_iterations
(self: pyrosetta.rosetta.protocols.loops.loop_closure.kinematic_closure.KinematicPerturber, sample_its: int) → None¶ C++: protocols::loops::loop_closure::kinematic_closure::KinematicPerturber::set_max_sample_iterations(unsigned long) –> void
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set_movemap
(self: pyrosetta.rosetta.protocols.loops.loop_closure.kinematic_closure.KinematicPerturber, mm: pyrosetta.rosetta.core.kinematics.MoveMap) → None¶ C++: protocols::loops::loop_closure::kinematic_closure::KinematicPerturber::set_movemap(class std::shared_ptr<const class core::kinematics::MoveMap>) –> void
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set_pose_after_closure
(self: pyrosetta.rosetta.protocols.loops.loop_closure.kinematic_closure.BaseTabooPerturber, pose: pyrosetta.rosetta.core.pose.Pose, torsions: pyrosetta.rosetta.utility.vector1_double, bond_ang: pyrosetta.rosetta.utility.vector1_double, bond_len: pyrosetta.rosetta.utility.vector1_double, closure_successful: bool) → None¶ C++: protocols::loops::loop_closure::kinematic_closure::BaseTabooPerturber::set_pose_after_closure(class core::pose::Pose &, const class utility::vector1<double, class std::allocator<double> > &, const class utility::vector1<double, class std::allocator<double> > &, const class utility::vector1<double, class std::allocator<double> > &, bool) const –> void
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set_vary_ca_bond_angles
(self: pyrosetta.rosetta.protocols.loops.loop_closure.kinematic_closure.BaseTabooPerturber, vary_ca_bond_angles: bool) → None¶ C++: protocols::loops::loop_closure::kinematic_closure::BaseTabooPerturber::set_vary_ca_bond_angles(bool) –> void
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class
pyrosetta.rosetta.protocols.loops.loop_closure.kinematic_closure.
KinematicMover
¶ Bases:
pyrosetta.rosetta.protocols.moves.Mover
A mover class for performing kinematic loop closure on a peptide segment
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BANGLE_MIN
(self: pyrosetta.rosetta.protocols.loops.loop_closure.kinematic_closure.KinematicMover) → float¶ C++: protocols::loops::loop_closure::kinematic_closure::KinematicMover::BANGLE_MIN() const –> double
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BANGLE_SD
(self: pyrosetta.rosetta.protocols.loops.loop_closure.kinematic_closure.KinematicMover) → float¶ C++: protocols::loops::loop_closure::kinematic_closure::KinematicMover::BANGLE_SD() const –> double
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__delattr__
¶ Implement delattr(self, name).
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__dir__
() → list¶ default dir() implementation
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__eq__
¶ Return self==value.
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__format__
()¶ default object formatter
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__ge__
¶ Return self>=value.
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__getattribute__
¶ Return getattr(self, name).
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__gt__
¶ Return self>value.
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__hash__
¶ Return hash(self).
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__init__
(*args, **kwargs)¶ Overloaded function.
- __init__(self: pyrosetta.rosetta.protocols.loops.loop_closure.kinematic_closure.KinematicMover) -> None
- __init__(self: pyrosetta.rosetta.protocols.loops.loop_closure.kinematic_closure.KinematicMover, arg0: pyrosetta.rosetta.protocols.loops.loop_closure.kinematic_closure.KinematicMover) -> None
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__init_subclass__
()¶ This method is called when a class is subclassed.
The default implementation does nothing. It may be overridden to extend subclasses.
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__le__
¶ Return self<=value.
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__lt__
¶ Return self<value.
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__ne__
¶ Return self!=value.
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__new__
()¶ Create and return a new object. See help(type) for accurate signature.
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__reduce__
()¶ helper for pickle
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__reduce_ex__
()¶ helper for pickle
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__repr__
¶ Return repr(self).
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__setattr__
¶ Implement setattr(self, name, value).
-
__sizeof__
() → int¶ size of object in memory, in bytes
-
__str__
¶ Return str(self).
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__subclasshook__
()¶ Abstract classes can override this to customize issubclass().
This is invoked early on by abc.ABCMeta.__subclasscheck__(). It should return True, False or NotImplemented. If it returns NotImplemented, the normal algorithm is used. Otherwise, it overrides the normal algorithm (and the outcome is cached).
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add_filter
(self: pyrosetta.rosetta.protocols.loops.loop_closure.kinematic_closure.KinematicMover, filter: pyrosetta.rosetta.protocols.filters.Filter) → None¶ C++: protocols::loops::loop_closure::kinematic_closure::KinematicMover::add_filter(class std::shared_ptr<const class protocols::filters::Filter>) –> void
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apply
(self: pyrosetta.rosetta.protocols.loops.loop_closure.kinematic_closure.KinematicMover, : pyrosetta.rosetta.core.pose.Pose) → None¶ C++: protocols::loops::loop_closure::kinematic_closure::KinematicMover::apply(class core::pose::Pose &) –> void
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assign
(self: pyrosetta.rosetta.protocols.loops.loop_closure.kinematic_closure.KinematicMover, : pyrosetta.rosetta.protocols.loops.loop_closure.kinematic_closure.KinematicMover) → pyrosetta.rosetta.protocols.loops.loop_closure.kinematic_closure.KinematicMover¶ C++: protocols::loops::loop_closure::kinematic_closure::KinematicMover::operator=(const class protocols::loops::loop_closure::kinematic_closure::KinematicMover &) –> class protocols::loops::loop_closure::kinematic_closure::KinematicMover &
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check_rama
(self: pyrosetta.rosetta.protocols.loops.loop_closure.kinematic_closure.KinematicMover, old_rama_score: float, new_rama_score: float) → bool¶ C++: protocols::loops::loop_closure::kinematic_closure::KinematicMover::check_rama(double, double) –> bool
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clear_filters
(self: pyrosetta.rosetta.protocols.loops.loop_closure.kinematic_closure.KinematicMover) → None¶ C++: protocols::loops::loop_closure::kinematic_closure::KinematicMover::clear_filters() –> void
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clear_info
(self: pyrosetta.rosetta.protocols.moves.Mover) → None¶ 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 applyC++: protocols::moves::Mover::clear_info() –> void
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clone
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.protocols.moves.Mover¶ Return a clone of the Mover object.
C++: protocols::moves::Mover::clone() const –> class std::shared_ptr<class protocols::moves::Mover>
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count_bb_atoms
(self: pyrosetta.rosetta.protocols.loops.loop_closure.kinematic_closure.KinematicMover, pose: pyrosetta.rosetta.core.pose.Pose, start_res: int, end_res: int) → int¶ C++: protocols::loops::loop_closure::kinematic_closure::KinematicMover::count_bb_atoms(const class core::pose::Pose &, const unsigned long, const unsigned long) const –> unsigned long
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count_bb_atoms_in_residue
(self: pyrosetta.rosetta.protocols.loops.loop_closure.kinematic_closure.KinematicMover, pose: pyrosetta.rosetta.core.pose.Pose, position: int) → int¶ C++: protocols::loops::loop_closure::kinematic_closure::KinematicMover::count_bb_atoms_in_residue(const class core::pose::Pose &, const unsigned long) const –> unsigned long
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create
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.protocols.moves.Mover¶ C++: protocols::moves::Mover::create() –> class std::shared_ptr<class protocols::moves::Mover>
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end_res
(self: pyrosetta.rosetta.protocols.loops.loop_closure.kinematic_closure.KinematicMover) → int¶ C++: protocols::loops::loop_closure::kinematic_closure::KinematicMover::end_res() const –> unsigned long
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frequency_in_taboo_map
(self: pyrosetta.rosetta.protocols.loops.loop_closure.kinematic_closure.KinematicMover, pos: int, : pyrosetta.rosetta.core.conformation.ppo_torsion_bin) → float¶ C++: protocols::loops::loop_closure::kinematic_closure::KinematicMover::frequency_in_taboo_map(unsigned long, enum core::conformation::ppo_torsion_bin) const –> double
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fresh_instance
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.protocols.moves.Mover¶ Generates a new Mover object freshly created with the default ctor.
C++: protocols::moves::Mover::fresh_instance() const –> class std::shared_ptr<class protocols::moves::Mover>
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get_additional_output
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.core.pose.Pose¶ fpd
Mechanism by which a mover may return multiple output poses from a single input pose.C++: protocols::moves::Mover::get_additional_output() –> class std::shared_ptr<class core::pose::Pose>
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get_bb_atoms_for_residue
(self: pyrosetta.rosetta.protocols.loops.loop_closure.kinematic_closure.KinematicMover, res: pyrosetta.rosetta.core.conformation.Residue, bb_atom_index: int) → str¶ C++: protocols::loops::loop_closure::kinematic_closure::KinematicMover::get_bb_atoms_for_residue(const class core::conformation::Residue &, const unsigned long) const –> std::string
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get_bump_overlap_factor
(self: pyrosetta.rosetta.protocols.loops.loop_closure.kinematic_closure.KinematicMover) → float¶ C++: protocols::loops::loop_closure::kinematic_closure::KinematicMover::get_bump_overlap_factor() const –> double
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get_bumpcheck_atom_count_for_residue
(self: pyrosetta.rosetta.protocols.loops.loop_closure.kinematic_closure.KinematicMover, rsd: pyrosetta.rosetta.core.conformation.Residue) → int¶ C++: protocols::loops::loop_closure::kinematic_closure::KinematicMover::get_bumpcheck_atom_count_for_residue(const class core::conformation::Residue &) const –> unsigned long
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get_bumpcheck_atoms_for_residue
(self: pyrosetta.rosetta.protocols.loops.loop_closure.kinematic_closure.KinematicMover, rsd: pyrosetta.rosetta.core.conformation.Residue, bumpcheck_atom_index: int) → str¶ C++: protocols::loops::loop_closure::kinematic_closure::KinematicMover::get_bumpcheck_atoms_for_residue(const class core::conformation::Residue &, const unsigned long) const –> std::string
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get_current_job
(self: pyrosetta.rosetta.protocols.moves.Mover) → protocols::jobdist::BasicJob¶ C++: protocols::moves::Mover::get_current_job() const –> class std::shared_ptr<const class protocols::jobdist::BasicJob>
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get_current_tag
(self: pyrosetta.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.
C++: protocols::moves::Mover::get_current_tag() const –> std::string
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get_hardsphere_bump_check
(self: pyrosetta.rosetta.protocols.loops.loop_closure.kinematic_closure.KinematicMover) → bool¶ C++: protocols::loops::loop_closure::kinematic_closure::KinematicMover::get_hardsphere_bump_check() –> bool
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get_idealize_loop_first
(self: pyrosetta.rosetta.protocols.loops.loop_closure.kinematic_closure.KinematicMover) → bool¶ C++: protocols::loops::loop_closure::kinematic_closure::KinematicMover::get_idealize_loop_first() –> bool
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get_input_pose
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.core.pose.Pose¶ C++: protocols::moves::Mover::get_input_pose() const –> class std::shared_ptr<const class core::pose::Pose>
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get_last_move_status
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.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.
C++: protocols::moves::Mover::get_last_move_status() const –> enum protocols::moves::MoverStatus
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get_loop_sequence
(self: pyrosetta.rosetta.protocols.loops.loop_closure.kinematic_closure.KinematicMover) → pyrosetta.rosetta.utility.vector1_core_chemical_AA¶ C++: protocols::loops::loop_closure::kinematic_closure::KinematicMover::get_loop_sequence() const –> class utility::vector1<enum core::chemical::AA, class std::allocator<enum core::chemical::AA> >
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get_name
(self: pyrosetta.rosetta.protocols.loops.loop_closure.kinematic_closure.KinematicMover) → str¶ C++: protocols::loops::loop_closure::kinematic_closure::KinematicMover::get_name() const –> std::string
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get_native_pose
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.core.pose.Pose¶ C++: protocols::moves::Mover::get_native_pose() const –> class std::shared_ptr<const class core::pose::Pose>
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get_rama_check
(self: pyrosetta.rosetta.protocols.loops.loop_closure.kinematic_closure.KinematicMover) → bool¶ C++: protocols::loops::loop_closure::kinematic_closure::KinematicMover::get_rama_check() –> bool
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get_sample_nonpivot_torsions
(self: pyrosetta.rosetta.protocols.loops.loop_closure.kinematic_closure.KinematicMover) → bool¶ C++: protocols::loops::loop_closure::kinematic_closure::KinematicMover::get_sample_nonpivot_torsions() –> bool
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get_self_ptr
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.protocols.moves.Mover¶ C++: protocols::moves::Mover::get_self_ptr() –> class std::shared_ptr<class protocols::moves::Mover>
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get_self_weak_ptr
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.std.weak_ptr_protocols_moves_Mover_t¶ C++: protocols::moves::Mover::get_self_weak_ptr() –> class std::weak_ptr<class protocols::moves::Mover>
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get_type
(self: pyrosetta.rosetta.protocols.moves.Mover) → str¶ C++: protocols::moves::Mover::get_type() const –> std::string
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get_vary_bondangles
(self: pyrosetta.rosetta.protocols.loops.loop_closure.kinematic_closure.KinematicMover) → bool¶ C++: protocols::loops::loop_closure::kinematic_closure::KinematicMover::get_vary_bondangles() –> bool
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info
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.std.list_std_string_std_allocator_std_string_t¶ non-const accessor
C++: protocols::moves::Mover::info() –> class std::list<std::string, class std::allocator<std::string > > &
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insert_sampled_torsion_string_into_taboo_map
(self: pyrosetta.rosetta.protocols.loops.loop_closure.kinematic_closure.KinematicMover, ts: pyrosetta.rosetta.utility.vector0_core_conformation_ppo_torsion_bin) → None¶ C++: protocols::loops::loop_closure::kinematic_closure::KinematicMover::insert_sampled_torsion_string_into_taboo_map(const class utility::vector0<enum core::conformation::ppo_torsion_bin, class std::allocator<enum core::conformation::ppo_torsion_bin> > &) –> void
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is_beta_aminoacid
(self: pyrosetta.rosetta.protocols.loops.loop_closure.kinematic_closure.KinematicMover, res: pyrosetta.rosetta.core.conformation.Residue) → bool¶ C++: protocols::loops::loop_closure::kinematic_closure::KinematicMover::is_beta_aminoacid(const class core::conformation::Residue &) const –> bool
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is_in_taboo_map
(self: pyrosetta.rosetta.protocols.loops.loop_closure.kinematic_closure.KinematicMover, ts: pyrosetta.rosetta.utility.vector0_core_conformation_ppo_torsion_bin) → bool¶ C++: protocols::loops::loop_closure::kinematic_closure::KinematicMover::is_in_taboo_map(const class utility::vector0<enum core::conformation::ppo_torsion_bin, class std::allocator<enum core::conformation::ppo_torsion_bin> > &) const –> bool
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last_move_succeeded
(self: pyrosetta.rosetta.protocols.loops.loop_closure.kinematic_closure.KinematicMover) → bool¶ C++: protocols::loops::loop_closure::kinematic_closure::KinematicMover::last_move_succeeded() –> bool
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last_proposal_density_ratio
(self: pyrosetta.rosetta.protocols.moves.Mover) → float¶ C++: protocols::moves::Mover::last_proposal_density_ratio() –> double
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loop_begin
(self: pyrosetta.rosetta.protocols.loops.loop_closure.kinematic_closure.KinematicMover) → int¶ C++: protocols::loops::loop_closure::kinematic_closure::KinematicMover::loop_begin() const –> unsigned long
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loop_end
(self: pyrosetta.rosetta.protocols.loops.loop_closure.kinematic_closure.KinematicMover) → int¶ C++: protocols::loops::loop_closure::kinematic_closure::KinematicMover::loop_end() const –> unsigned long
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middle_res
(self: pyrosetta.rosetta.protocols.loops.loop_closure.kinematic_closure.KinematicMover) → int¶ C++: protocols::loops::loop_closure::kinematic_closure::KinematicMover::middle_res() const –> unsigned long
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name
() → str¶ C++: protocols::moves::Mover::name() –> std::string
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perturber
(self: pyrosetta.rosetta.protocols.loops.loop_closure.kinematic_closure.KinematicMover) → pyrosetta.rosetta.protocols.loops.loop_closure.kinematic_closure.KinematicPerturber¶ C++: protocols::loops::loop_closure::kinematic_closure::KinematicMover::perturber() –> class std::shared_ptr<class protocols::loops::loop_closure::kinematic_closure::KinematicPerturber>
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register_options
() → None¶ 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.C++: protocols::moves::Mover::register_options() –> void
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reinitialize_for_each_job
(self: pyrosetta.rosetta.protocols.moves.Mover) → bool¶ - Inform the Job Distributor (August ‘08 vintage) whether this object needs to be freshly regenerated on
- each use.
C++: protocols::moves::Mover::reinitialize_for_each_job() const –> bool
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reinitialize_for_new_input
(self: pyrosetta.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).
C++: protocols::moves::Mover::reinitialize_for_new_input() const –> bool
-
reset_status
(self: pyrosetta.rosetta.protocols.moves.Mover) → None¶ 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.
C++: protocols::moves::Mover::reset_status() –> void
-
segment_length
(self: pyrosetta.rosetta.protocols.loops.loop_closure.kinematic_closure.KinematicMover) → int¶ C++: protocols::loops::loop_closure::kinematic_closure::KinematicMover::segment_length() const –> unsigned long
-
set_bump_overlap_factor
(self: pyrosetta.rosetta.protocols.loops.loop_closure.kinematic_closure.KinematicMover, bump_overlap_factor: float) → None¶ C++: protocols::loops::loop_closure::kinematic_closure::KinematicMover::set_bump_overlap_factor(double) –> void
-
set_current_job
(self: pyrosetta.rosetta.protocols.moves.Mover, job: protocols::jobdist::BasicJob) → None¶ ////////////////////////////end Job Distributor interface////////////////////////////////////////
C++: protocols::moves::Mover::set_current_job(class std::shared_ptr<const class protocols::jobdist::BasicJob>) –> void
-
set_current_tag
(self: pyrosetta.rosetta.protocols.moves.Mover, new_tag: str) → None¶ C++: protocols::moves::Mover::set_current_tag(const class std::basic_string<char> &) –> void
-
set_do_sfxn_eval_every_iteration
(self: pyrosetta.rosetta.protocols.loops.loop_closure.kinematic_closure.KinematicMover, do_sfxn_eval: bool) → None¶ C++: protocols::loops::loop_closure::kinematic_closure::KinematicMover::set_do_sfxn_eval_every_iteration(bool) –> void
-
set_filters
(self: pyrosetta.rosetta.protocols.loops.loop_closure.kinematic_closure.KinematicMover, filters_in: pyrosetta.rosetta.utility.vector1_std_shared_ptr_const_protocols_filters_Filter_t) → None¶ C++: protocols::loops::loop_closure::kinematic_closure::KinematicMover::set_filters(const class utility::vector1<class std::shared_ptr<const class protocols::filters::Filter>, class std::allocator<class std::shared_ptr<const class protocols::filters::Filter> > > &) –> void
-
set_hardsphere_bump_check
(self: pyrosetta.rosetta.protocols.loops.loop_closure.kinematic_closure.KinematicMover, do_bump_check: bool) → None¶ C++: protocols::loops::loop_closure::kinematic_closure::KinematicMover::set_hardsphere_bump_check(bool) –> void
-
set_idealize_loop_first
(self: pyrosetta.rosetta.protocols.loops.loop_closure.kinematic_closure.KinematicMover, idealize: bool) → None¶ C++: protocols::loops::loop_closure::kinematic_closure::KinematicMover::set_idealize_loop_first(bool) –> void
-
set_input_pose
(self: pyrosetta.rosetta.protocols.moves.Mover, pose: pyrosetta.rosetta.core.pose.Pose) → None¶ setter for poses contained for rms
C++: protocols::moves::Mover::set_input_pose(class std::shared_ptr<const class core::pose::Pose>) –> void
-
set_loop_begin_and_end
(self: pyrosetta.rosetta.protocols.loops.loop_closure.kinematic_closure.KinematicMover, loop_begin: int, loop_end: int) → None¶ C++: protocols::loops::loop_closure::kinematic_closure::KinematicMover::set_loop_begin_and_end(unsigned long, unsigned long) –> void
-
set_native_pose
(self: pyrosetta.rosetta.protocols.moves.Mover, pose: pyrosetta.rosetta.core.pose.Pose) → None¶ setter for native poses contained for rms —- we should get rid of this method? it is widely used, but a bit unsafe
C++: protocols::moves::Mover::set_native_pose(class std::shared_ptr<const class core::pose::Pose>) –> void
-
set_nonpivot_bb_torsion_id
(self: pyrosetta.rosetta.protocols.loops.loop_closure.kinematic_closure.KinematicMover, bbtorids: pyrosetta.rosetta.utility.vector1_unsigned_long) → None¶ C++: protocols::loops::loop_closure::kinematic_closure::KinematicMover::set_nonpivot_bb_torsion_id(const class utility::vector1<unsigned long, class std::allocator<unsigned long> > &) –> void
-
set_nonpivot_res_to_sweep
(self: pyrosetta.rosetta.protocols.loops.loop_closure.kinematic_closure.KinematicMover, resids: pyrosetta.rosetta.utility.vector1_unsigned_long) → None¶ C++: protocols::loops::loop_closure::kinematic_closure::KinematicMover::set_nonpivot_res_to_sweep(const class utility::vector1<unsigned long, class std::allocator<unsigned long> > &) –> void
-
set_perturber
(self: pyrosetta.rosetta.protocols.loops.loop_closure.kinematic_closure.KinematicMover, perturber_in: pyrosetta.rosetta.protocols.loops.loop_closure.kinematic_closure.KinematicPerturber) → None¶ C++: protocols::loops::loop_closure::kinematic_closure::KinematicMover::set_perturber(class std::shared_ptr<class protocols::loops::loop_closure::kinematic_closure::KinematicPerturber>) –> void
-
set_pivots
(self: pyrosetta.rosetta.protocols.loops.loop_closure.kinematic_closure.KinematicMover, start_res: int, middle_res: int, end_res: int) → None¶ C++: protocols::loops::loop_closure::kinematic_closure::KinematicMover::set_pivots(unsigned long, unsigned long, unsigned long) –> void
-
set_rama_check
(self: pyrosetta.rosetta.protocols.loops.loop_closure.kinematic_closure.KinematicMover, do_rama_check: bool) → None¶ C++: protocols::loops::loop_closure::kinematic_closure::KinematicMover::set_rama_check(bool) –> void
-
set_sample_nonpivot_torsions
(self: pyrosetta.rosetta.protocols.loops.loop_closure.kinematic_closure.KinematicMover, sample: bool) → None¶ C++: protocols::loops::loop_closure::kinematic_closure::KinematicMover::set_sample_nonpivot_torsions(bool) –> void
-
set_sfxn
(self: pyrosetta.rosetta.protocols.loops.loop_closure.kinematic_closure.KinematicMover, sfxn_in: pyrosetta.rosetta.core.scoring.ScoreFunction) → None¶ C++: protocols::loops::loop_closure::kinematic_closure::KinematicMover::set_sfxn(class std::shared_ptr<const class core::scoring::ScoreFunction>) –> void
-
set_sweep_nonpivot_torsions
(self: pyrosetta.rosetta.protocols.loops.loop_closure.kinematic_closure.KinematicMover, sweep: bool) → None¶ C++: protocols::loops::loop_closure::kinematic_closure::KinematicMover::set_sweep_nonpivot_torsions(bool) –> void
-
set_sweep_nsteps
(self: pyrosetta.rosetta.protocols.loops.loop_closure.kinematic_closure.KinematicMover, nsteps: pyrosetta.rosetta.utility.vector1_unsigned_long) → None¶ C++: protocols::loops::loop_closure::kinematic_closure::KinematicMover::set_sweep_nsteps(const class utility::vector1<unsigned long, class std::allocator<unsigned long> > &) –> void
-
set_sweep_start_angle
(self: pyrosetta.rosetta.protocols.loops.loop_closure.kinematic_closure.KinematicMover, angles_in_degrees: pyrosetta.rosetta.utility.vector1_double) → None¶ C++: protocols::loops::loop_closure::kinematic_closure::KinematicMover::set_sweep_start_angle(const class utility::vector1<double, class std::allocator<double> > &) –> void
-
set_sweep_step_size
(self: pyrosetta.rosetta.protocols.loops.loop_closure.kinematic_closure.KinematicMover, angle_steps_in_degrees: pyrosetta.rosetta.utility.vector1_double) → None¶ C++: protocols::loops::loop_closure::kinematic_closure::KinematicMover::set_sweep_step_size(const class utility::vector1<double, class std::allocator<double> > &) –> void
-
set_temperature
(self: pyrosetta.rosetta.protocols.loops.loop_closure.kinematic_closure.KinematicMover, temp_in: float) → None¶ C++: protocols::loops::loop_closure::kinematic_closure::KinematicMover::set_temperature(double) –> void
-
set_type
(self: pyrosetta.rosetta.protocols.moves.Mover, setting: str) → None¶ C++: protocols::moves::Mover::set_type(const class std::basic_string<char> &) –> void
-
set_vary_bondangles
(self: pyrosetta.rosetta.protocols.loops.loop_closure.kinematic_closure.KinematicMover, vary: bool) → None¶ C++: protocols::loops::loop_closure::kinematic_closure::KinematicMover::set_vary_bondangles(bool) –> void
-
show
(*args, **kwargs)¶ Overloaded function.
- show(self: pyrosetta.rosetta.protocols.moves.Mover) -> None
- show(self: pyrosetta.rosetta.protocols.moves.Mover, output: pyrosetta.rosetta.std.ostream) -> None
Outputs details about the Mover, including current settings.
C++: protocols::moves::Mover::show(class std::basic_ostream<char> &) const –> void
-
start_res
(self: pyrosetta.rosetta.protocols.loops.loop_closure.kinematic_closure.KinematicMover) → int¶ C++: protocols::loops::loop_closure::kinematic_closure::KinematicMover::start_res() const –> unsigned long
-
sweep_incomplete
(self: pyrosetta.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.
C++: protocols::loops::loop_closure::kinematic_closure::KinematicMover::sweep_incomplete() const –> bool
-
test_move
(self: pyrosetta.rosetta.protocols.moves.Mover, pose: pyrosetta.rosetta.core.pose.Pose) → None¶ - : Unit test support function. Apply one move to a given pose.
- Allows extra test specific functions to be called before applying
C++: protocols::moves::Mover::test_move(class core::pose::Pose &) –> void
-
torsion_features_string
(self: pyrosetta.rosetta.protocols.loops.loop_closure.kinematic_closure.KinematicMover, pose: pyrosetta.rosetta.core.pose.Pose) → pyrosetta.rosetta.utility.vector0_core_conformation_ppo_torsion_bin¶ C++: protocols::loops::loop_closure::kinematic_closure::KinematicMover::torsion_features_string(const class core::pose::Pose &) const –> class utility::vector0<enum core::conformation::ppo_torsion_bin, class std::allocator<enum core::conformation::ppo_torsion_bin> >
-
type
(*args, **kwargs)¶ Overloaded function.
- type(self: pyrosetta.rosetta.protocols.moves.Mover) -> str
C++: protocols::moves::Mover::type() const –> const std::string &
- type(self: pyrosetta.rosetta.protocols.moves.Mover, type_in: str) -> None
C++: protocols::moves::Mover::type(const class std::basic_string<char> &) –> void
-
update_sequence
(self: pyrosetta.rosetta.protocols.loops.loop_closure.kinematic_closure.KinematicMover, sequence: pyrosetta.rosetta.utility.vector1_core_chemical_AA) → None¶ C++: protocols::loops::loop_closure::kinematic_closure::KinematicMover::update_sequence(const class utility::vector1<enum core::chemical::AA, class std::allocator<enum core::chemical::AA> > &) –> void
-
-
class
pyrosetta.rosetta.protocols.loops.loop_closure.kinematic_closure.
KinematicPerturber
¶ Bases:
pybind11_builtins.pybind11_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.
-
__delattr__
¶ Implement delattr(self, name).
-
__dir__
() → list¶ default dir() implementation
-
__eq__
¶ Return self==value.
-
__format__
()¶ default object formatter
-
__ge__
¶ Return self>=value.
-
__getattribute__
¶ Return getattr(self, name).
-
__gt__
¶ Return self>value.
-
__hash__
¶ Return hash(self).
-
__init__
(*args, **kwargs)¶ Overloaded function.
- __init__(self: pyrosetta.rosetta.protocols.loops.loop_closure.kinematic_closure.KinematicPerturber) -> None
- __init__(self: pyrosetta.rosetta.protocols.loops.loop_closure.kinematic_closure.KinematicPerturber, arg0: pyrosetta.rosetta.protocols.loops.loop_closure.kinematic_closure.KinematicPerturber) -> None
-
__init_subclass__
()¶ This method is called when a class is subclassed.
The default implementation does nothing. It may be overridden to extend subclasses.
-
__le__
¶ Return self<=value.
-
__lt__
¶ Return self<value.
-
__ne__
¶ Return self!=value.
-
__new__
()¶ Create and return a new object. See help(type) for accurate signature.
-
__reduce__
()¶ helper for pickle
-
__reduce_ex__
()¶ helper for pickle
-
__repr__
¶ Return repr(self).
-
__setattr__
¶ Implement setattr(self, name, value).
-
__sizeof__
() → int¶ size of object in memory, in bytes
-
__str__
¶ Return str(self).
-
__subclasshook__
()¶ Abstract classes can override this to customize issubclass().
This is invoked early on by abc.ABCMeta.__subclasscheck__(). It should return True, False or NotImplemented. If it returns NotImplemented, the normal algorithm is used. Otherwise, it overrides the normal algorithm (and the outcome is cached).
-
assign
(self: pyrosetta.rosetta.protocols.loops.loop_closure.kinematic_closure.KinematicPerturber, : pyrosetta.rosetta.protocols.loops.loop_closure.kinematic_closure.KinematicPerturber) → pyrosetta.rosetta.protocols.loops.loop_closure.kinematic_closure.KinematicPerturber¶ C++: protocols::loops::loop_closure::kinematic_closure::KinematicPerturber::operator=(const class protocols::loops::loop_closure::kinematic_closure::KinematicPerturber &) –> class protocols::loops::loop_closure::kinematic_closure::KinematicPerturber &
-
clear_torsion_string_stack
(self: pyrosetta.rosetta.protocols.loops.loop_closure.kinematic_closure.KinematicPerturber) → None¶ C++: protocols::loops::loop_closure::kinematic_closure::KinematicPerturber::clear_torsion_string_stack() –> void
-
get_movemap
(self: pyrosetta.rosetta.protocols.loops.loop_closure.kinematic_closure.KinematicPerturber) → pyrosetta.rosetta.core.kinematics.MoveMap¶ C++: protocols::loops::loop_closure::kinematic_closure::KinematicPerturber::get_movemap() const –> class std::shared_ptr<const class core::kinematics::MoveMap>
-
kinmover
(self: pyrosetta.rosetta.protocols.loops.loop_closure.kinematic_closure.KinematicPerturber) → pyrosetta.rosetta.std.weak_ptr_const_protocols_loops_loop_closure_kinematic_closure_KinematicMover_t¶ C++: protocols::loops::loop_closure::kinematic_closure::KinematicPerturber::kinmover() const –> class std::weak_ptr<const class protocols::loops::loop_closure::kinematic_closure::KinematicMover>
-
max_sample_iterations
(self: pyrosetta.rosetta.protocols.loops.loop_closure.kinematic_closure.KinematicPerturber) → int¶ C++: protocols::loops::loop_closure::kinematic_closure::KinematicPerturber::max_sample_iterations() const –> unsigned long
-
perturb_chain
(self: pyrosetta.rosetta.protocols.loops.loop_closure.kinematic_closure.KinematicPerturber, pose: pyrosetta.rosetta.core.pose.Pose, torsions: pyrosetta.rosetta.utility.vector1_double, bond_ang: pyrosetta.rosetta.utility.vector1_double, bond_len: pyrosetta.rosetta.utility.vector1_double) → None¶ - 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
C++: protocols::loops::loop_closure::kinematic_closure::KinematicPerturber::perturb_chain(const class core::pose::Pose &, class utility::vector1<double, class std::allocator<double> > &, class utility::vector1<double, class std::allocator<double> > &, class utility::vector1<double, class std::allocator<double> > &) –> void
-
perturber_exhausted
(self: pyrosetta.rosetta.protocols.loops.loop_closure.kinematic_closure.KinematicPerturber) → bool¶ C++: protocols::loops::loop_closure::kinematic_closure::KinematicPerturber::perturber_exhausted() const –> bool
-
perturber_type
(self: pyrosetta.rosetta.protocols.loops.loop_closure.kinematic_closure.KinematicPerturber) → str¶ C++: protocols::loops::loop_closure::kinematic_closure::KinematicPerturber::perturber_type() const –> std::string
-
set_kinmover
(self: pyrosetta.rosetta.protocols.loops.loop_closure.kinematic_closure.KinematicPerturber, kinmover: pyrosetta.rosetta.std.weak_ptr_const_protocols_loops_loop_closure_kinematic_closure_KinematicMover_t) → None¶ C++: protocols::loops::loop_closure::kinematic_closure::KinematicPerturber::set_kinmover(class std::weak_ptr<const class protocols::loops::loop_closure::kinematic_closure::KinematicMover>) –> void
-
set_max_sample_iterations
(self: pyrosetta.rosetta.protocols.loops.loop_closure.kinematic_closure.KinematicPerturber, sample_its: int) → None¶ C++: protocols::loops::loop_closure::kinematic_closure::KinematicPerturber::set_max_sample_iterations(unsigned long) –> void
-
set_movemap
(self: pyrosetta.rosetta.protocols.loops.loop_closure.kinematic_closure.KinematicPerturber, mm: pyrosetta.rosetta.core.kinematics.MoveMap) → None¶ C++: protocols::loops::loop_closure::kinematic_closure::KinematicPerturber::set_movemap(class std::shared_ptr<const class core::kinematics::MoveMap>) –> void
-
set_pose_after_closure
(self: pyrosetta.rosetta.protocols.loops.loop_closure.kinematic_closure.KinematicPerturber, pose: pyrosetta.rosetta.core.pose.Pose, torsions: pyrosetta.rosetta.utility.vector1_double, : pyrosetta.rosetta.utility.vector1_double, : pyrosetta.rosetta.utility.vector1_double, : bool) → None¶ - 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
C++: protocols::loops::loop_closure::kinematic_closure::KinematicPerturber::set_pose_after_closure(class core::pose::Pose &, const class utility::vector1<double, class std::allocator<double> > &, const class utility::vector1<double, class std::allocator<double> > &, const class utility::vector1<double, class std::allocator<double> > &, bool) const –> void
-
-
class
pyrosetta.rosetta.protocols.loops.loop_closure.kinematic_closure.
KinematicWrapper
¶ Bases:
pyrosetta.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.
-
__delattr__
¶ Implement delattr(self, name).
-
__dir__
() → list¶ default dir() implementation
-
__eq__
¶ Return self==value.
-
__format__
()¶ default object formatter
-
__ge__
¶ Return self>=value.
-
__getattribute__
¶ Return getattr(self, name).
-
__gt__
¶ Return self>value.
-
__hash__
¶ Return hash(self).
-
__init__
(*args, **kwargs)¶ Overloaded function.
- __init__(self: pyrosetta.rosetta.protocols.loops.loop_closure.kinematic_closure.KinematicWrapper, arg0: pyrosetta.rosetta.protocols.loops.loop_closure.kinematic_closure.KinematicMover, arg1: pyrosetta.rosetta.protocols.loops.Loop) -> None
doc
- __init__(self: pyrosetta.rosetta.protocols.loops.loop_closure.kinematic_closure.KinematicWrapper, kinmover_in: pyrosetta.rosetta.protocols.loops.loop_closure.kinematic_closure.KinematicMover, loop: pyrosetta.rosetta.protocols.loops.Loop, cycles: int) -> None
- __init__(self: pyrosetta.rosetta.protocols.loops.loop_closure.kinematic_closure.KinematicWrapper, arg0: pyrosetta.rosetta.protocols.loops.loop_closure.kinematic_closure.KinematicMover, arg1: int, arg2: int) -> None
doc
- __init__(self: pyrosetta.rosetta.protocols.loops.loop_closure.kinematic_closure.KinematicWrapper, kinmover_in: pyrosetta.rosetta.protocols.loops.loop_closure.kinematic_closure.KinematicMover, loop_begin: int, loop_end: int, cycles: int) -> None
- __init__(self: pyrosetta.rosetta.protocols.loops.loop_closure.kinematic_closure.KinematicWrapper, arg0: pyrosetta.rosetta.protocols.loops.loop_closure.kinematic_closure.KinematicWrapper) -> None
-
__init_subclass__
()¶ This method is called when a class is subclassed.
The default implementation does nothing. It may be overridden to extend subclasses.
-
__le__
¶ Return self<=value.
-
__lt__
¶ Return self<value.
-
__ne__
¶ Return self!=value.
-
__new__
()¶ Create and return a new object. See help(type) for accurate signature.
-
__reduce__
()¶ helper for pickle
-
__reduce_ex__
()¶ helper for pickle
-
__repr__
¶ Return repr(self).
-
__setattr__
¶ Implement setattr(self, name, value).
-
__sizeof__
() → int¶ size of object in memory, in bytes
-
__str__
¶ Return str(self).
-
__subclasshook__
()¶ Abstract classes can override this to customize issubclass().
This is invoked early on by abc.ABCMeta.__subclasscheck__(). It should return True, False or NotImplemented. If it returns NotImplemented, the normal algorithm is used. Otherwise, it overrides the normal algorithm (and the outcome is cached).
-
apply
(self: pyrosetta.rosetta.protocols.loops.loop_closure.kinematic_closure.KinematicWrapper, pose: pyrosetta.rosetta.core.pose.Pose) → None¶ re-applies KinematicMover with different pivots until success
C++: protocols::loops::loop_closure::kinematic_closure::KinematicWrapper::apply(class core::pose::Pose &) –> void
-
assign
(self: pyrosetta.rosetta.protocols.moves.Mover, other: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.protocols.moves.Mover¶ C++: protocols::moves::Mover::operator=(const class protocols::moves::Mover &) –> class protocols::moves::Mover &
-
clear_info
(self: pyrosetta.rosetta.protocols.moves.Mover) → None¶ 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 applyC++: protocols::moves::Mover::clear_info() –> void
-
clone
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.protocols.moves.Mover¶ Return a clone of the Mover object.
C++: protocols::moves::Mover::clone() const –> class std::shared_ptr<class protocols::moves::Mover>
-
create
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.protocols.moves.Mover¶ C++: protocols::moves::Mover::create() –> class std::shared_ptr<class protocols::moves::Mover>
-
fresh_instance
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.protocols.moves.Mover¶ Generates a new Mover object freshly created with the default ctor.
C++: protocols::moves::Mover::fresh_instance() const –> class std::shared_ptr<class protocols::moves::Mover>
-
get_additional_output
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.core.pose.Pose¶ fpd
Mechanism by which a mover may return multiple output poses from a single input pose.C++: protocols::moves::Mover::get_additional_output() –> class std::shared_ptr<class core::pose::Pose>
-
get_current_job
(self: pyrosetta.rosetta.protocols.moves.Mover) → protocols::jobdist::BasicJob¶ C++: protocols::moves::Mover::get_current_job() const –> class std::shared_ptr<const class protocols::jobdist::BasicJob>
-
get_current_tag
(self: pyrosetta.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.
C++: protocols::moves::Mover::get_current_tag() const –> std::string
-
get_input_pose
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.core.pose.Pose¶ C++: protocols::moves::Mover::get_input_pose() const –> class std::shared_ptr<const class core::pose::Pose>
-
get_last_move_status
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.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.
C++: protocols::moves::Mover::get_last_move_status() const –> enum protocols::moves::MoverStatus
-
get_name
(self: pyrosetta.rosetta.protocols.loops.loop_closure.kinematic_closure.KinematicWrapper) → str¶ C++: protocols::loops::loop_closure::kinematic_closure::KinematicWrapper::get_name() const –> std::string
-
get_native_pose
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.core.pose.Pose¶ C++: protocols::moves::Mover::get_native_pose() const –> class std::shared_ptr<const class core::pose::Pose>
-
get_self_ptr
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.protocols.moves.Mover¶ C++: protocols::moves::Mover::get_self_ptr() –> class std::shared_ptr<class protocols::moves::Mover>
-
get_self_weak_ptr
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.std.weak_ptr_protocols_moves_Mover_t¶ C++: protocols::moves::Mover::get_self_weak_ptr() –> class std::weak_ptr<class protocols::moves::Mover>
-
get_type
(self: pyrosetta.rosetta.protocols.moves.Mover) → str¶ C++: protocols::moves::Mover::get_type() const –> std::string
-
info
(self: pyrosetta.rosetta.protocols.moves.Mover) → pyrosetta.rosetta.std.list_std_string_std_allocator_std_string_t¶ non-const accessor
C++: protocols::moves::Mover::info() –> class std::list<std::string, class std::allocator<std::string > > &
-
last_proposal_density_ratio
(self: pyrosetta.rosetta.protocols.moves.Mover) → float¶ C++: protocols::moves::Mover::last_proposal_density_ratio() –> double
-
name
() → str¶ C++: protocols::moves::Mover::name() –> std::string
-
register_options
() → None¶ 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.C++: protocols::moves::Mover::register_options() –> void
-
reinitialize_for_each_job
(self: pyrosetta.rosetta.protocols.moves.Mover) → bool¶ - Inform the Job Distributor (August ‘08 vintage) whether this object needs to be freshly regenerated on
- each use.
C++: protocols::moves::Mover::reinitialize_for_each_job() const –> bool
-
reinitialize_for_new_input
(self: pyrosetta.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).
C++: protocols::moves::Mover::reinitialize_for_new_input() const –> bool
-
reset_status
(self: pyrosetta.rosetta.protocols.moves.Mover) → None¶ 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.
C++: protocols::moves::Mover::reset_status() –> void
-
respect_this_movemap
(self: pyrosetta.rosetta.protocols.loops.loop_closure.kinematic_closure.KinematicWrapper, mm: pyrosetta.rosetta.core.kinematics.MoveMap) → None¶ this function derives the allowed_positions_ vector from mm and the loop begin/end
C++: protocols::loops::loop_closure::kinematic_closure::KinematicWrapper::respect_this_movemap(class std::shared_ptr<const class core::kinematics::MoveMap>) –> void
-
set_current_job
(self: pyrosetta.rosetta.protocols.moves.Mover, job: protocols::jobdist::BasicJob) → None¶ ////////////////////////////end Job Distributor interface////////////////////////////////////////
C++: protocols::moves::Mover::set_current_job(class std::shared_ptr<const class protocols::jobdist::BasicJob>) –> void
-
set_current_tag
(self: pyrosetta.rosetta.protocols.moves.Mover, new_tag: str) → None¶ C++: protocols::moves::Mover::set_current_tag(const class std::basic_string<char> &) –> void
-
set_input_pose
(self: pyrosetta.rosetta.protocols.moves.Mover, pose: pyrosetta.rosetta.core.pose.Pose) → None¶ setter for poses contained for rms
C++: protocols::moves::Mover::set_input_pose(class std::shared_ptr<const class core::pose::Pose>) –> void
-
set_native_pose
(self: pyrosetta.rosetta.protocols.moves.Mover, pose: pyrosetta.rosetta.core.pose.Pose) → None¶ setter for native poses contained for rms —- we should get rid of this method? it is widely used, but a bit unsafe
C++: protocols::moves::Mover::set_native_pose(class std::shared_ptr<const class core::pose::Pose>) –> void
-
set_type
(self: pyrosetta.rosetta.protocols.moves.Mover, setting: str) → None¶ C++: protocols::moves::Mover::set_type(const class std::basic_string<char> &) –> void
-
show
(*args, **kwargs)¶ Overloaded function.
- show(self: pyrosetta.rosetta.protocols.moves.Mover) -> None
- show(self: pyrosetta.rosetta.protocols.moves.Mover, output: pyrosetta.rosetta.std.ostream) -> None
Outputs details about the Mover, including current settings.
C++: protocols::moves::Mover::show(class std::basic_ostream<char> &) const –> void
-
test_move
(self: pyrosetta.rosetta.protocols.moves.Mover, pose: pyrosetta.rosetta.core.pose.Pose) → None¶ - : Unit test support function. Apply one move to a given pose.
- Allows extra test specific functions to be called before applying
C++: protocols::moves::Mover::test_move(class core::pose::Pose &) –> void
-
type
(*args, **kwargs)¶ Overloaded function.
- type(self: pyrosetta.rosetta.protocols.moves.Mover) -> str
C++: protocols::moves::Mover::type() const –> const std::string &
- type(self: pyrosetta.rosetta.protocols.moves.Mover, type_in: str) -> None
C++: protocols::moves::Mover::type(const class std::basic_string<char> &) –> void
-
-
class
pyrosetta.rosetta.protocols.loops.loop_closure.kinematic_closure.
NeighborDependentTabooSamplingKinematicPerturber
¶ Bases:
pyrosetta.rosetta.protocols.loops.loop_closure.kinematic_closure.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
-
__delattr__
¶ Implement delattr(self, name).
-
__dir__
() → list¶ default dir() implementation
-
__eq__
¶ Return self==value.
-
__format__
()¶ default object formatter
-
__ge__
¶ Return self>=value.
-
__getattribute__
¶ Return getattr(self, name).
-
__gt__
¶ Return self>value.
-
__hash__
¶ Return hash(self).
-
__init__
(self: pyrosetta.rosetta.protocols.loops.loop_closure.kinematic_closure.NeighborDependentTabooSamplingKinematicPerturber, kinmover_in: pyrosetta.rosetta.std.weak_ptr_const_protocols_loops_loop_closure_kinematic_closure_KinematicMover_t) → None¶
-
__init_subclass__
()¶ This method is called when a class is subclassed.
The default implementation does nothing. It may be overridden to extend subclasses.
-
__le__
¶ Return self<=value.
-
__lt__
¶ Return self<value.
-
__ne__
¶ Return self!=value.
-
__new__
()¶ Create and return a new object. See help(type) for accurate signature.
-
__reduce__
()¶ helper for pickle
-
__reduce_ex__
()¶ helper for pickle
-
__repr__
¶ Return repr(self).
-
__setattr__
¶ Implement setattr(self, name, value).
-
__sizeof__
() → int¶ size of object in memory, in bytes
-
__str__
¶ Return str(self).
-
__subclasshook__
()¶ Abstract classes can override this to customize issubclass().
This is invoked early on by abc.ABCMeta.__subclasscheck__(). It should return True, False or NotImplemented. If it returns NotImplemented, the normal algorithm is used. Otherwise, it overrides the normal algorithm (and the outcome is cached).
-
assign
(self: pyrosetta.rosetta.protocols.loops.loop_closure.kinematic_closure.BaseTabooPerturber, : pyrosetta.rosetta.protocols.loops.loop_closure.kinematic_closure.BaseTabooPerturber) → pyrosetta.rosetta.protocols.loops.loop_closure.kinematic_closure.BaseTabooPerturber¶ C++: protocols::loops::loop_closure::kinematic_closure::BaseTabooPerturber::operator=(const class protocols::loops::loop_closure::kinematic_closure::BaseTabooPerturber &) –> class protocols::loops::loop_closure::kinematic_closure::BaseTabooPerturber &
-
clear_torsion_string_stack
(self: pyrosetta.rosetta.protocols.loops.loop_closure.kinematic_closure.BaseTabooPerturber) → None¶ C++: protocols::loops::loop_closure::kinematic_closure::BaseTabooPerturber::clear_torsion_string_stack() –> void
-
get_movemap
(self: pyrosetta.rosetta.protocols.loops.loop_closure.kinematic_closure.KinematicPerturber) → pyrosetta.rosetta.core.kinematics.MoveMap¶ C++: protocols::loops::loop_closure::kinematic_closure::KinematicPerturber::get_movemap() const –> class std::shared_ptr<const class core::kinematics::MoveMap>
-
kinmover
(self: pyrosetta.rosetta.protocols.loops.loop_closure.kinematic_closure.KinematicPerturber) → pyrosetta.rosetta.std.weak_ptr_const_protocols_loops_loop_closure_kinematic_closure_KinematicMover_t¶ C++: protocols::loops::loop_closure::kinematic_closure::KinematicPerturber::kinmover() const –> class std::weak_ptr<const class protocols::loops::loop_closure::kinematic_closure::KinematicMover>
-
max_sample_iterations
(self: pyrosetta.rosetta.protocols.loops.loop_closure.kinematic_closure.KinematicPerturber) → int¶ C++: protocols::loops::loop_closure::kinematic_closure::KinematicPerturber::max_sample_iterations() const –> unsigned long
-
next_torsion_string
(self: pyrosetta.rosetta.protocols.loops.loop_closure.kinematic_closure.BaseTabooPerturber) → pyrosetta.rosetta.utility.vector0_core_conformation_ppo_torsion_bin¶ C++: protocols::loops::loop_closure::kinematic_closure::BaseTabooPerturber::next_torsion_string() –> class utility::vector0<enum core::conformation::ppo_torsion_bin, class std::allocator<enum core::conformation::ppo_torsion_bin> >
-
num_strings
(self: pyrosetta.rosetta.protocols.loops.loop_closure.kinematic_closure.BaseTabooPerturber) → int¶ C++: protocols::loops::loop_closure::kinematic_closure::BaseTabooPerturber::num_strings() const –> unsigned long
-
perturb_chain
(self: pyrosetta.rosetta.protocols.loops.loop_closure.kinematic_closure.BaseTabooPerturber, pose: pyrosetta.rosetta.core.pose.Pose, torsions: pyrosetta.rosetta.utility.vector1_double, bond_ang: pyrosetta.rosetta.utility.vector1_double, : pyrosetta.rosetta.utility.vector1_double) → None¶ C++: protocols::loops::loop_closure::kinematic_closure::BaseTabooPerturber::perturb_chain(const class core::pose::Pose &, class utility::vector1<double, class std::allocator<double> > &, class utility::vector1<double, class std::allocator<double> > &, class utility::vector1<double, class std::allocator<double> > &) –> void
-
perturber_exhausted
(self: pyrosetta.rosetta.protocols.loops.loop_closure.kinematic_closure.KinematicPerturber) → bool¶ C++: protocols::loops::loop_closure::kinematic_closure::KinematicPerturber::perturber_exhausted() const –> bool
-
perturber_type
(self: pyrosetta.rosetta.protocols.loops.loop_closure.kinematic_closure.NeighborDependentTabooSamplingKinematicPerturber) → str¶ C++: protocols::loops::loop_closure::kinematic_closure::NeighborDependentTabooSamplingKinematicPerturber::perturber_type() const –> std::string
-
set_kinmover
(self: pyrosetta.rosetta.protocols.loops.loop_closure.kinematic_closure.KinematicPerturber, kinmover: pyrosetta.rosetta.std.weak_ptr_const_protocols_loops_loop_closure_kinematic_closure_KinematicMover_t) → None¶ C++: protocols::loops::loop_closure::kinematic_closure::KinematicPerturber::set_kinmover(class std::weak_ptr<const class protocols::loops::loop_closure::kinematic_closure::KinematicMover>) –> void
-
set_max_sample_iterations
(self: pyrosetta.rosetta.protocols.loops.loop_closure.kinematic_closure.KinematicPerturber, sample_its: int) → None¶ C++: protocols::loops::loop_closure::kinematic_closure::KinematicPerturber::set_max_sample_iterations(unsigned long) –> void
-
set_movemap
(self: pyrosetta.rosetta.protocols.loops.loop_closure.kinematic_closure.KinematicPerturber, mm: pyrosetta.rosetta.core.kinematics.MoveMap) → None¶ C++: protocols::loops::loop_closure::kinematic_closure::KinematicPerturber::set_movemap(class std::shared_ptr<const class core::kinematics::MoveMap>) –> void
-
set_pose_after_closure
(self: pyrosetta.rosetta.protocols.loops.loop_closure.kinematic_closure.BaseTabooPerturber, pose: pyrosetta.rosetta.core.pose.Pose, torsions: pyrosetta.rosetta.utility.vector1_double, bond_ang: pyrosetta.rosetta.utility.vector1_double, bond_len: pyrosetta.rosetta.utility.vector1_double, closure_successful: bool) → None¶ C++: protocols::loops::loop_closure::kinematic_closure::BaseTabooPerturber::set_pose_after_closure(class core::pose::Pose &, const class utility::vector1<double, class std::allocator<double> > &, const class utility::vector1<double, class std::allocator<double> > &, const class utility::vector1<double, class std::allocator<double> > &, bool) const –> void
-
set_vary_ca_bond_angles
(self: pyrosetta.rosetta.protocols.loops.loop_closure.kinematic_closure.BaseTabooPerturber, vary_ca_bond_angles: bool) → None¶ C++: protocols::loops::loop_closure::kinematic_closure::BaseTabooPerturber::set_vary_ca_bond_angles(bool) –> void
-
-
class
pyrosetta.rosetta.protocols.loops.loop_closure.kinematic_closure.
NeighborDependentTorsionSamplingKinematicPerturber
¶ Bases:
pyrosetta.rosetta.protocols.loops.loop_closure.kinematic_closure.KinematicPerturber
Amelie Stein
neighbor-dependent torsion sampling kinematic perturber – uses rama2b for phi/psi lookup
-
__delattr__
¶ Implement delattr(self, name).
-
__dir__
() → list¶ default dir() implementation
-
__eq__
¶ Return self==value.
-
__format__
()¶ default object formatter
-
__ge__
¶ Return self>=value.
-
__getattribute__
¶ Return getattr(self, name).
-
__gt__
¶ Return self>value.
-
__hash__
¶ Return hash(self).
-
__init__
(self: pyrosetta.rosetta.protocols.loops.loop_closure.kinematic_closure.NeighborDependentTorsionSamplingKinematicPerturber, kinmover_in: pyrosetta.rosetta.std.weak_ptr_const_protocols_loops_loop_closure_kinematic_closure_KinematicMover_t) → None¶
-
__init_subclass__
()¶ This method is called when a class is subclassed.
The default implementation does nothing. It may be overridden to extend subclasses.
-
__le__
¶ Return self<=value.
-
__lt__
¶ Return self<value.
-
__ne__
¶ Return self!=value.
-
__new__
()¶ Create and return a new object. See help(type) for accurate signature.
-
__reduce__
()¶ helper for pickle
-
__reduce_ex__
()¶ helper for pickle
-
__repr__
¶ Return repr(self).
-
__setattr__
¶ Implement setattr(self, name, value).
-
__sizeof__
() → int¶ size of object in memory, in bytes
-
__str__
¶ Return str(self).
-
__subclasshook__
()¶ Abstract classes can override this to customize issubclass().
This is invoked early on by abc.ABCMeta.__subclasscheck__(). It should return True, False or NotImplemented. If it returns NotImplemented, the normal algorithm is used. Otherwise, it overrides the normal algorithm (and the outcome is cached).
-
assign
(self: pyrosetta.rosetta.protocols.loops.loop_closure.kinematic_closure.KinematicPerturber, : pyrosetta.rosetta.protocols.loops.loop_closure.kinematic_closure.KinematicPerturber) → pyrosetta.rosetta.protocols.loops.loop_closure.kinematic_closure.KinematicPerturber¶ C++: protocols::loops::loop_closure::kinematic_closure::KinematicPerturber::operator=(const class protocols::loops::loop_closure::kinematic_closure::KinematicPerturber &) –> class protocols::loops::loop_closure::kinematic_closure::KinematicPerturber &
-
clear_torsion_string_stack
(self: pyrosetta.rosetta.protocols.loops.loop_closure.kinematic_closure.KinematicPerturber) → None¶ C++: protocols::loops::loop_closure::kinematic_closure::KinematicPerturber::clear_torsion_string_stack() –> void
-
get_movemap
(self: pyrosetta.rosetta.protocols.loops.loop_closure.kinematic_closure.KinematicPerturber) → pyrosetta.rosetta.core.kinematics.MoveMap¶ C++: protocols::loops::loop_closure::kinematic_closure::KinematicPerturber::get_movemap() const –> class std::shared_ptr<const class core::kinematics::MoveMap>
-
kinmover
(self: pyrosetta.rosetta.protocols.loops.loop_closure.kinematic_closure.KinematicPerturber) → pyrosetta.rosetta.std.weak_ptr_const_protocols_loops_loop_closure_kinematic_closure_KinematicMover_t¶ C++: protocols::loops::loop_closure::kinematic_closure::KinematicPerturber::kinmover() const –> class std::weak_ptr<const class protocols::loops::loop_closure::kinematic_closure::KinematicMover>
-
max_sample_iterations
(self: pyrosetta.rosetta.protocols.loops.loop_closure.kinematic_closure.KinematicPerturber) → int¶ C++: protocols::loops::loop_closure::kinematic_closure::KinematicPerturber::max_sample_iterations() const –> unsigned long
-
perturb_chain
(self: pyrosetta.rosetta.protocols.loops.loop_closure.kinematic_closure.NeighborDependentTorsionSamplingKinematicPerturber, pose: pyrosetta.rosetta.core.pose.Pose, torsions: pyrosetta.rosetta.utility.vector1_double, bond_ang: pyrosetta.rosetta.utility.vector1_double, : pyrosetta.rosetta.utility.vector1_double) → None¶ C++: protocols::loops::loop_closure::kinematic_closure::NeighborDependentTorsionSamplingKinematicPerturber::perturb_chain(const class core::pose::Pose &, class utility::vector1<double, class std::allocator<double> > &, class utility::vector1<double, class std::allocator<double> > &, class utility::vector1<double, class std::allocator<double> > &) –> void
-
perturber_exhausted
(self: pyrosetta.rosetta.protocols.loops.loop_closure.kinematic_closure.KinematicPerturber) → bool¶ C++: protocols::loops::loop_closure::kinematic_closure::KinematicPerturber::perturber_exhausted() const –> bool
-
perturber_type
(self: pyrosetta.rosetta.protocols.loops.loop_closure.kinematic_closure.NeighborDependentTorsionSamplingKinematicPerturber) → str¶ C++: protocols::loops::loop_closure::kinematic_closure::NeighborDependentTorsionSamplingKinematicPerturber::perturber_type() const –> std::string
-
set_kinmover
(self: pyrosetta.rosetta.protocols.loops.loop_closure.kinematic_closure.KinematicPerturber, kinmover: pyrosetta.rosetta.std.weak_ptr_const_protocols_loops_loop_closure_kinematic_closure_KinematicMover_t) → None¶ C++: protocols::loops::loop_closure::kinematic_closure::KinematicPerturber::set_kinmover(class std::weak_ptr<const class protocols::loops::loop_closure::kinematic_closure::KinematicMover>) –> void
-
set_max_sample_iterations
(self: pyrosetta.rosetta.protocols.loops.loop_closure.kinematic_closure.KinematicPerturber, sample_its: int) → None¶ C++: protocols::loops::loop_closure::kinematic_closure::KinematicPerturber::set_max_sample_iterations(unsigned long) –> void
-
set_movemap
(self: pyrosetta.rosetta.protocols.loops.loop_closure.kinematic_closure.KinematicPerturber, mm: pyrosetta.rosetta.core.kinematics.MoveMap) → None¶ C++: protocols::loops::loop_closure::kinematic_closure::KinematicPerturber::set_movemap(class std::shared_ptr<const class core::kinematics::MoveMap>) –> void
-
set_pose_after_closure
(self: pyrosetta.rosetta.protocols.loops.loop_closure.kinematic_closure.NeighborDependentTorsionSamplingKinematicPerturber, pose: pyrosetta.rosetta.core.pose.Pose, torsions: pyrosetta.rosetta.utility.vector1_double, bond_ang: pyrosetta.rosetta.utility.vector1_double, bond_len: pyrosetta.rosetta.utility.vector1_double, closure_successful: bool) → None¶ C++: protocols::loops::loop_closure::kinematic_closure::NeighborDependentTorsionSamplingKinematicPerturber::set_pose_after_closure(class core::pose::Pose &, const class utility::vector1<double, class std::allocator<double> > &, const class utility::vector1<double, class std::allocator<double> > &, const class utility::vector1<double, class std::allocator<double> > &, bool) const –> void
-
set_vary_ca_bond_angles
(self: pyrosetta.rosetta.protocols.loops.loop_closure.kinematic_closure.NeighborDependentTorsionSamplingKinematicPerturber, vary_ca_bond_angles: bool) → None¶ C++: protocols::loops::loop_closure::kinematic_closure::NeighborDependentTorsionSamplingKinematicPerturber::set_vary_ca_bond_angles(bool) –> void
-
-
class
pyrosetta.rosetta.protocols.loops.loop_closure.kinematic_closure.
TabooSamplingKinematicPerturber
¶ Bases:
pyrosetta.rosetta.protocols.loops.loop_closure.kinematic_closure.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
-
__delattr__
¶ Implement delattr(self, name).
-
__dir__
() → list¶ default dir() implementation
-
__eq__
¶ Return self==value.
-
__format__
()¶ default object formatter
-
__ge__
¶ Return self>=value.
-
__getattribute__
¶ Return getattr(self, name).
-
__gt__
¶ Return self>value.
-
__hash__
¶ Return hash(self).
-
__init__
(self: pyrosetta.rosetta.protocols.loops.loop_closure.kinematic_closure.TabooSamplingKinematicPerturber, kinmover_in: pyrosetta.rosetta.std.weak_ptr_const_protocols_loops_loop_closure_kinematic_closure_KinematicMover_t) → None¶
-
__init_subclass__
()¶ This method is called when a class is subclassed.
The default implementation does nothing. It may be overridden to extend subclasses.
-
__le__
¶ Return self<=value.
-
__lt__
¶ Return self<value.
-
__ne__
¶ Return self!=value.
-
__new__
()¶ Create and return a new object. See help(type) for accurate signature.
-
__reduce__
()¶ helper for pickle
-
__reduce_ex__
()¶ helper for pickle
-
__repr__
¶ Return repr(self).
-
__setattr__
¶ Implement setattr(self, name, value).
-
__sizeof__
() → int¶ size of object in memory, in bytes
-
__str__
¶ Return str(self).
-
__subclasshook__
()¶ Abstract classes can override this to customize issubclass().
This is invoked early on by abc.ABCMeta.__subclasscheck__(). It should return True, False or NotImplemented. If it returns NotImplemented, the normal algorithm is used. Otherwise, it overrides the normal algorithm (and the outcome is cached).
-
assign
(self: pyrosetta.rosetta.protocols.loops.loop_closure.kinematic_closure.BaseTabooPerturber, : pyrosetta.rosetta.protocols.loops.loop_closure.kinematic_closure.BaseTabooPerturber) → pyrosetta.rosetta.protocols.loops.loop_closure.kinematic_closure.BaseTabooPerturber¶ C++: protocols::loops::loop_closure::kinematic_closure::BaseTabooPerturber::operator=(const class protocols::loops::loop_closure::kinematic_closure::BaseTabooPerturber &) –> class protocols::loops::loop_closure::kinematic_closure::BaseTabooPerturber &
-
clear_torsion_string_stack
(self: pyrosetta.rosetta.protocols.loops.loop_closure.kinematic_closure.BaseTabooPerturber) → None¶ C++: protocols::loops::loop_closure::kinematic_closure::BaseTabooPerturber::clear_torsion_string_stack() –> void
-
get_movemap
(self: pyrosetta.rosetta.protocols.loops.loop_closure.kinematic_closure.KinematicPerturber) → pyrosetta.rosetta.core.kinematics.MoveMap¶ C++: protocols::loops::loop_closure::kinematic_closure::KinematicPerturber::get_movemap() const –> class std::shared_ptr<const class core::kinematics::MoveMap>
-
kinmover
(self: pyrosetta.rosetta.protocols.loops.loop_closure.kinematic_closure.KinematicPerturber) → pyrosetta.rosetta.std.weak_ptr_const_protocols_loops_loop_closure_kinematic_closure_KinematicMover_t¶ C++: protocols::loops::loop_closure::kinematic_closure::KinematicPerturber::kinmover() const –> class std::weak_ptr<const class protocols::loops::loop_closure::kinematic_closure::KinematicMover>
-
max_sample_iterations
(self: pyrosetta.rosetta.protocols.loops.loop_closure.kinematic_closure.KinematicPerturber) → int¶ C++: protocols::loops::loop_closure::kinematic_closure::KinematicPerturber::max_sample_iterations() const –> unsigned long
-
next_torsion_string
(self: pyrosetta.rosetta.protocols.loops.loop_closure.kinematic_closure.BaseTabooPerturber) → pyrosetta.rosetta.utility.vector0_core_conformation_ppo_torsion_bin¶ C++: protocols::loops::loop_closure::kinematic_closure::BaseTabooPerturber::next_torsion_string() –> class utility::vector0<enum core::conformation::ppo_torsion_bin, class std::allocator<enum core::conformation::ppo_torsion_bin> >
-
num_strings
(self: pyrosetta.rosetta.protocols.loops.loop_closure.kinematic_closure.BaseTabooPerturber) → int¶ C++: protocols::loops::loop_closure::kinematic_closure::BaseTabooPerturber::num_strings() const –> unsigned long
-
perturb_chain
(self: pyrosetta.rosetta.protocols.loops.loop_closure.kinematic_closure.BaseTabooPerturber, pose: pyrosetta.rosetta.core.pose.Pose, torsions: pyrosetta.rosetta.utility.vector1_double, bond_ang: pyrosetta.rosetta.utility.vector1_double, : pyrosetta.rosetta.utility.vector1_double) → None¶ C++: protocols::loops::loop_closure::kinematic_closure::BaseTabooPerturber::perturb_chain(const class core::pose::Pose &, class utility::vector1<double, class std::allocator<double> > &, class utility::vector1<double, class std::allocator<double> > &, class utility::vector1<double, class std::allocator<double> > &) –> void
-
perturber_exhausted
(self: pyrosetta.rosetta.protocols.loops.loop_closure.kinematic_closure.KinematicPerturber) → bool¶ C++: protocols::loops::loop_closure::kinematic_closure::KinematicPerturber::perturber_exhausted() const –> bool
-
perturber_type
(self: pyrosetta.rosetta.protocols.loops.loop_closure.kinematic_closure.TabooSamplingKinematicPerturber) → str¶ C++: protocols::loops::loop_closure::kinematic_closure::TabooSamplingKinematicPerturber::perturber_type() const –> std::string
-
set_kinmover
(self: pyrosetta.rosetta.protocols.loops.loop_closure.kinematic_closure.KinematicPerturber, kinmover: pyrosetta.rosetta.std.weak_ptr_const_protocols_loops_loop_closure_kinematic_closure_KinematicMover_t) → None¶ C++: protocols::loops::loop_closure::kinematic_closure::KinematicPerturber::set_kinmover(class std::weak_ptr<const class protocols::loops::loop_closure::kinematic_closure::KinematicMover>) –> void
-
set_max_sample_iterations
(self: pyrosetta.rosetta.protocols.loops.loop_closure.kinematic_closure.KinematicPerturber, sample_its: int) → None¶ C++: protocols::loops::loop_closure::kinematic_closure::KinematicPerturber::set_max_sample_iterations(unsigned long) –> void
-
set_movemap
(self: pyrosetta.rosetta.protocols.loops.loop_closure.kinematic_closure.KinematicPerturber, mm: pyrosetta.rosetta.core.kinematics.MoveMap) → None¶ C++: protocols::loops::loop_closure::kinematic_closure::KinematicPerturber::set_movemap(class std::shared_ptr<const class core::kinematics::MoveMap>) –> void
-
set_pose_after_closure
(self: pyrosetta.rosetta.protocols.loops.loop_closure.kinematic_closure.BaseTabooPerturber, pose: pyrosetta.rosetta.core.pose.Pose, torsions: pyrosetta.rosetta.utility.vector1_double, bond_ang: pyrosetta.rosetta.utility.vector1_double, bond_len: pyrosetta.rosetta.utility.vector1_double, closure_successful: bool) → None¶ C++: protocols::loops::loop_closure::kinematic_closure::BaseTabooPerturber::set_pose_after_closure(class core::pose::Pose &, const class utility::vector1<double, class std::allocator<double> > &, const class utility::vector1<double, class std::allocator<double> > &, const class utility::vector1<double, class std::allocator<double> > &, bool) const –> void
-
set_vary_ca_bond_angles
(self: pyrosetta.rosetta.protocols.loops.loop_closure.kinematic_closure.BaseTabooPerturber, vary_ca_bond_angles: bool) → None¶ C++: protocols::loops::loop_closure::kinematic_closure::BaseTabooPerturber::set_vary_ca_bond_angles(bool) –> void
-
-
class
pyrosetta.rosetta.protocols.loops.loop_closure.kinematic_closure.
TorsionRestrictedKinematicPerturber
¶ Bases:
pyrosetta.rosetta.protocols.loops.loop_closure.kinematic_closure.KinematicPerturber
torsion-restricted kinematic perturber (still samples randomly, but only within a given torsion bin)
Amelie Stein
-
__delattr__
¶ Implement delattr(self, name).
-
__dir__
() → list¶ default dir() implementation
-
__eq__
¶ Return self==value.
-
__format__
()¶ default object formatter
-
__ge__
¶ Return self>=value.
-
__getattribute__
¶ Return getattr(self, name).
-
__gt__
¶ Return self>value.
-
__hash__
¶ Return hash(self).
-
__init__
(self: pyrosetta.rosetta.protocols.loops.loop_closure.kinematic_closure.TorsionRestrictedKinematicPerturber, kinmover_in: pyrosetta.rosetta.std.weak_ptr_const_protocols_loops_loop_closure_kinematic_closure_KinematicMover_t, torsion_bins: pyrosetta.rosetta.utility.vector0_core_conformation_ppo_torsion_bin) → None¶
-
__init_subclass__
()¶ This method is called when a class is subclassed.
The default implementation does nothing. It may be overridden to extend subclasses.
-
__le__
¶ Return self<=value.
-
__lt__
¶ Return self<value.
-
__ne__
¶ Return self!=value.
-
__new__
()¶ Create and return a new object. See help(type) for accurate signature.
-
__reduce__
()¶ helper for pickle
-
__reduce_ex__
()¶ helper for pickle
-
__repr__
¶ Return repr(self).
-
__setattr__
¶ Implement setattr(self, name, value).
-
__sizeof__
() → int¶ size of object in memory, in bytes
-
__str__
¶ Return str(self).
-
__subclasshook__
()¶ Abstract classes can override this to customize issubclass().
This is invoked early on by abc.ABCMeta.__subclasscheck__(). It should return True, False or NotImplemented. If it returns NotImplemented, the normal algorithm is used. Otherwise, it overrides the normal algorithm (and the outcome is cached).
-
assign
(self: pyrosetta.rosetta.protocols.loops.loop_closure.kinematic_closure.KinematicPerturber, : pyrosetta.rosetta.protocols.loops.loop_closure.kinematic_closure.KinematicPerturber) → pyrosetta.rosetta.protocols.loops.loop_closure.kinematic_closure.KinematicPerturber¶ C++: protocols::loops::loop_closure::kinematic_closure::KinematicPerturber::operator=(const class protocols::loops::loop_closure::kinematic_closure::KinematicPerturber &) –> class protocols::loops::loop_closure::kinematic_closure::KinematicPerturber &
-
clear_torsion_string_stack
(self: pyrosetta.rosetta.protocols.loops.loop_closure.kinematic_closure.KinematicPerturber) → None¶ C++: protocols::loops::loop_closure::kinematic_closure::KinematicPerturber::clear_torsion_string_stack() –> void
-
get_movemap
(self: pyrosetta.rosetta.protocols.loops.loop_closure.kinematic_closure.KinematicPerturber) → pyrosetta.rosetta.core.kinematics.MoveMap¶ C++: protocols::loops::loop_closure::kinematic_closure::KinematicPerturber::get_movemap() const –> class std::shared_ptr<const class core::kinematics::MoveMap>
-
kinmover
(self: pyrosetta.rosetta.protocols.loops.loop_closure.kinematic_closure.KinematicPerturber) → pyrosetta.rosetta.std.weak_ptr_const_protocols_loops_loop_closure_kinematic_closure_KinematicMover_t¶ C++: protocols::loops::loop_closure::kinematic_closure::KinematicPerturber::kinmover() const –> class std::weak_ptr<const class protocols::loops::loop_closure::kinematic_closure::KinematicMover>
-
max_sample_iterations
(self: pyrosetta.rosetta.protocols.loops.loop_closure.kinematic_closure.KinematicPerturber) → int¶ C++: protocols::loops::loop_closure::kinematic_closure::KinematicPerturber::max_sample_iterations() const –> unsigned long
-
perturb_chain
(self: pyrosetta.rosetta.protocols.loops.loop_closure.kinematic_closure.TorsionRestrictedKinematicPerturber, pose: pyrosetta.rosetta.core.pose.Pose, torsions: pyrosetta.rosetta.utility.vector1_double, bond_ang: pyrosetta.rosetta.utility.vector1_double, : pyrosetta.rosetta.utility.vector1_double) → None¶ C++: protocols::loops::loop_closure::kinematic_closure::TorsionRestrictedKinematicPerturber::perturb_chain(const class core::pose::Pose &, class utility::vector1<double, class std::allocator<double> > &, class utility::vector1<double, class std::allocator<double> > &, class utility::vector1<double, class std::allocator<double> > &) –> void
-
perturber_exhausted
(self: pyrosetta.rosetta.protocols.loops.loop_closure.kinematic_closure.KinematicPerturber) → bool¶ C++: protocols::loops::loop_closure::kinematic_closure::KinematicPerturber::perturber_exhausted() const –> bool
-
perturber_type
(self: pyrosetta.rosetta.protocols.loops.loop_closure.kinematic_closure.TorsionRestrictedKinematicPerturber) → str¶ C++: protocols::loops::loop_closure::kinematic_closure::TorsionRestrictedKinematicPerturber::perturber_type() const –> std::string
-
set_kinmover
(self: pyrosetta.rosetta.protocols.loops.loop_closure.kinematic_closure.KinematicPerturber, kinmover: pyrosetta.rosetta.std.weak_ptr_const_protocols_loops_loop_closure_kinematic_closure_KinematicMover_t) → None¶ C++: protocols::loops::loop_closure::kinematic_closure::KinematicPerturber::set_kinmover(class std::weak_ptr<const class protocols::loops::loop_closure::kinematic_closure::KinematicMover>) –> void
-
set_max_sample_iterations
(self: pyrosetta.rosetta.protocols.loops.loop_closure.kinematic_closure.KinematicPerturber, sample_its: int) → None¶ C++: protocols::loops::loop_closure::kinematic_closure::KinematicPerturber::set_max_sample_iterations(unsigned long) –> void
-
set_movemap
(self: pyrosetta.rosetta.protocols.loops.loop_closure.kinematic_closure.KinematicPerturber, mm: pyrosetta.rosetta.core.kinematics.MoveMap) → None¶ C++: protocols::loops::loop_closure::kinematic_closure::KinematicPerturber::set_movemap(class std::shared_ptr<const class core::kinematics::MoveMap>) –> void
-
set_pose_after_closure
(self: pyrosetta.rosetta.protocols.loops.loop_closure.kinematic_closure.TorsionRestrictedKinematicPerturber, pose: pyrosetta.rosetta.core.pose.Pose, torsions: pyrosetta.rosetta.utility.vector1_double, bond_ang: pyrosetta.rosetta.utility.vector1_double, bond_len: pyrosetta.rosetta.utility.vector1_double, closure_successful: bool) → None¶ C++: protocols::loops::loop_closure::kinematic_closure::TorsionRestrictedKinematicPerturber::set_pose_after_closure(class core::pose::Pose &, const class utility::vector1<double, class std::allocator<double> > &, const class utility::vector1<double, class std::allocator<double> > &, const class utility::vector1<double, class std::allocator<double> > &, bool) const –> void
-
set_vary_ca_bond_angles
(self: pyrosetta.rosetta.protocols.loops.loop_closure.kinematic_closure.TorsionRestrictedKinematicPerturber, vary_ca_bond_angles: bool) → None¶ C++: protocols::loops::loop_closure::kinematic_closure::TorsionRestrictedKinematicPerturber::set_vary_ca_bond_angles(bool) –> void
-
-
class
pyrosetta.rosetta.protocols.loops.loop_closure.kinematic_closure.
TorsionSamplingKinematicPerturber
¶ Bases:
pyrosetta.rosetta.protocols.loops.loop_closure.kinematic_closure.KinematicPerturber
torsion sampling kinematic perturber
-
__delattr__
¶ Implement delattr(self, name).
-
__dir__
() → list¶ default dir() implementation
-
__eq__
¶ Return self==value.
-
__format__
()¶ default object formatter
-
__ge__
¶ Return self>=value.
-
__getattribute__
¶ Return getattr(self, name).
-
__gt__
¶ Return self>value.
-
__hash__
¶ Return hash(self).
-
__init__
(self: pyrosetta.rosetta.protocols.loops.loop_closure.kinematic_closure.TorsionSamplingKinematicPerturber, kinmover_in: pyrosetta.rosetta.std.weak_ptr_const_protocols_loops_loop_closure_kinematic_closure_KinematicMover_t) → None¶
-
__init_subclass__
()¶ This method is called when a class is subclassed.
The default implementation does nothing. It may be overridden to extend subclasses.
-
__le__
¶ Return self<=value.
-
__lt__
¶ Return self<value.
-
__ne__
¶ Return self!=value.
-
__new__
()¶ Create and return a new object. See help(type) for accurate signature.
-
__reduce__
()¶ helper for pickle
-
__reduce_ex__
()¶ helper for pickle
-
__repr__
¶ Return repr(self).
-
__setattr__
¶ Implement setattr(self, name, value).
-
__sizeof__
() → int¶ size of object in memory, in bytes
-
__str__
¶ Return str(self).
-
__subclasshook__
()¶ Abstract classes can override this to customize issubclass().
This is invoked early on by abc.ABCMeta.__subclasscheck__(). It should return True, False or NotImplemented. If it returns NotImplemented, the normal algorithm is used. Otherwise, it overrides the normal algorithm (and the outcome is cached).
-
assign
(self: pyrosetta.rosetta.protocols.loops.loop_closure.kinematic_closure.KinematicPerturber, : pyrosetta.rosetta.protocols.loops.loop_closure.kinematic_closure.KinematicPerturber) → pyrosetta.rosetta.protocols.loops.loop_closure.kinematic_closure.KinematicPerturber¶ C++: protocols::loops::loop_closure::kinematic_closure::KinematicPerturber::operator=(const class protocols::loops::loop_closure::kinematic_closure::KinematicPerturber &) –> class protocols::loops::loop_closure::kinematic_closure::KinematicPerturber &
-
clear_torsion_string_stack
(self: pyrosetta.rosetta.protocols.loops.loop_closure.kinematic_closure.KinematicPerturber) → None¶ C++: protocols::loops::loop_closure::kinematic_closure::KinematicPerturber::clear_torsion_string_stack() –> void
-
get_movemap
(self: pyrosetta.rosetta.protocols.loops.loop_closure.kinematic_closure.KinematicPerturber) → pyrosetta.rosetta.core.kinematics.MoveMap¶ C++: protocols::loops::loop_closure::kinematic_closure::KinematicPerturber::get_movemap() const –> class std::shared_ptr<const class core::kinematics::MoveMap>
-
initialize_betaresidue_minima
(self: pyrosetta.rosetta.protocols.loops.loop_closure.kinematic_closure.TorsionSamplingKinematicPerturber, philist: pyrosetta.rosetta.utility.vector1_double, thetalist: pyrosetta.rosetta.utility.vector1_double, psilist: pyrosetta.rosetta.utility.vector1_double, mode: int) → None¶ Initialize positions of minima in the beta-amino acid Ramachandran cube.
C++: protocols::loops::loop_closure::kinematic_closure::TorsionSamplingKinematicPerturber::initialize_betaresidue_minima(class utility::vector1<double, class std::allocator<double> > &, class utility::vector1<double, class std::allocator<double> > &, class utility::vector1<double, class std::allocator<double> > &, const unsigned long) const –> void
-
kinmover
(self: pyrosetta.rosetta.protocols.loops.loop_closure.kinematic_closure.KinematicPerturber) → pyrosetta.rosetta.std.weak_ptr_const_protocols_loops_loop_closure_kinematic_closure_KinematicMover_t¶ C++: protocols::loops::loop_closure::kinematic_closure::KinematicPerturber::kinmover() const –> class std::weak_ptr<const class protocols::loops::loop_closure::kinematic_closure::KinematicMover>
-
max_sample_iterations
(self: pyrosetta.rosetta.protocols.loops.loop_closure.kinematic_closure.KinematicPerturber) → int¶ C++: protocols::loops::loop_closure::kinematic_closure::KinematicPerturber::max_sample_iterations() const –> unsigned long
-
perturb_beta_residue
(self: pyrosetta.rosetta.protocols.loops.loop_closure.kinematic_closure.TorsionSamplingKinematicPerturber, phi: float, theta: float, psi: float, beta_residue_type: int) → None¶ 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.
C++: protocols::loops::loop_closure::kinematic_closure::TorsionSamplingKinematicPerturber::perturb_beta_residue(double &, double &, double &, const unsigned long) const –> void
-
perturb_chain
(self: pyrosetta.rosetta.protocols.loops.loop_closure.kinematic_closure.TorsionSamplingKinematicPerturber, pose: pyrosetta.rosetta.core.pose.Pose, torsions: pyrosetta.rosetta.utility.vector1_double, bond_ang: pyrosetta.rosetta.utility.vector1_double, : pyrosetta.rosetta.utility.vector1_double) → None¶ varies torsions always and bond angles sometimes. Currently torsion varying will respect a movemap if present; angles do NOT look for a movemap.
C++: protocols::loops::loop_closure::kinematic_closure::TorsionSamplingKinematicPerturber::perturb_chain(const class core::pose::Pose &, class utility::vector1<double, class std::allocator<double> > &, class utility::vector1<double, class std::allocator<double> > &, class utility::vector1<double, class std::allocator<double> > &) –> void
-
perturber_exhausted
(self: pyrosetta.rosetta.protocols.loops.loop_closure.kinematic_closure.KinematicPerturber) → bool¶ C++: protocols::loops::loop_closure::kinematic_closure::KinematicPerturber::perturber_exhausted() const –> bool
-
perturber_type
(self: pyrosetta.rosetta.protocols.loops.loop_closure.kinematic_closure.TorsionSamplingKinematicPerturber) → str¶ C++: protocols::loops::loop_closure::kinematic_closure::TorsionSamplingKinematicPerturber::perturber_type() const –> std::string
-
set_kinmover
(self: pyrosetta.rosetta.protocols.loops.loop_closure.kinematic_closure.KinematicPerturber, kinmover: pyrosetta.rosetta.std.weak_ptr_const_protocols_loops_loop_closure_kinematic_closure_KinematicMover_t) → None¶ C++: protocols::loops::loop_closure::kinematic_closure::KinematicPerturber::set_kinmover(class std::weak_ptr<const class protocols::loops::loop_closure::kinematic_closure::KinematicMover>) –> void
-
set_max_sample_iterations
(self: pyrosetta.rosetta.protocols.loops.loop_closure.kinematic_closure.KinematicPerturber, sample_its: int) → None¶ C++: protocols::loops::loop_closure::kinematic_closure::KinematicPerturber::set_max_sample_iterations(unsigned long) –> void
-
set_movemap
(self: pyrosetta.rosetta.protocols.loops.loop_closure.kinematic_closure.KinematicPerturber, mm: pyrosetta.rosetta.core.kinematics.MoveMap) → None¶ C++: protocols::loops::loop_closure::kinematic_closure::KinematicPerturber::set_movemap(class std::shared_ptr<const class core::kinematics::MoveMap>) –> void
-
set_pose_after_closure
(self: pyrosetta.rosetta.protocols.loops.loop_closure.kinematic_closure.TorsionSamplingKinematicPerturber, pose: pyrosetta.rosetta.core.pose.Pose, torsions: pyrosetta.rosetta.utility.vector1_double, bond_ang: pyrosetta.rosetta.utility.vector1_double, bond_len: pyrosetta.rosetta.utility.vector1_double, closure_successful: bool) → None¶ C++: protocols::loops::loop_closure::kinematic_closure::TorsionSamplingKinematicPerturber::set_pose_after_closure(class core::pose::Pose &, const class utility::vector1<double, class std::allocator<double> > &, const class utility::vector1<double, class std::allocator<double> > &, const class utility::vector1<double, class std::allocator<double> > &, bool) const –> void
-
set_vary_ca_bond_angles
(self: pyrosetta.rosetta.protocols.loops.loop_closure.kinematic_closure.TorsionSamplingKinematicPerturber, vary_ca_bond_angles: bool) → None¶ C++: protocols::loops::loop_closure::kinematic_closure::TorsionSamplingKinematicPerturber::set_vary_ca_bond_angles(bool) –> void
-
-
class
pyrosetta.rosetta.protocols.loops.loop_closure.kinematic_closure.
TorsionSweepingKinematicPerturber
¶ Bases:
pyrosetta.rosetta.protocols.loops.loop_closure.kinematic_closure.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.
-
__delattr__
¶ Implement delattr(self, name).
-
__dir__
() → list¶ default dir() implementation
-
__eq__
¶ Return self==value.
-
__format__
()¶ default object formatter
-
__ge__
¶ Return self>=value.
-
__getattribute__
¶ Return getattr(self, name).
-
__gt__
¶ Return self>value.
-
__hash__
¶ Return hash(self).
-
__init__
(*args, **kwargs)¶ Overloaded function.
- __init__(self: pyrosetta.rosetta.protocols.loops.loop_closure.kinematic_closure.TorsionSweepingKinematicPerturber) -> None
- __init__(self: pyrosetta.rosetta.protocols.loops.loop_closure.kinematic_closure.TorsionSweepingKinematicPerturber, arg0: pyrosetta.rosetta.protocols.loops.loop_closure.kinematic_closure.TorsionSweepingKinematicPerturber) -> None
-
__init_subclass__
()¶ This method is called when a class is subclassed.
The default implementation does nothing. It may be overridden to extend subclasses.
-
__le__
¶ Return self<=value.
-
__lt__
¶ Return self<value.
-
__ne__
¶ Return self!=value.
-
__new__
()¶ Create and return a new object. See help(type) for accurate signature.
-
__reduce__
()¶ helper for pickle
-
__reduce_ex__
()¶ helper for pickle
-
__repr__
¶ Return repr(self).
-
__setattr__
¶ Implement setattr(self, name, value).
-
__sizeof__
() → int¶ size of object in memory, in bytes
-
__str__
¶ Return str(self).
-
__subclasshook__
()¶ Abstract classes can override this to customize issubclass().
This is invoked early on by abc.ABCMeta.__subclasscheck__(). It should return True, False or NotImplemented. If it returns NotImplemented, the normal algorithm is used. Otherwise, it overrides the normal algorithm (and the outcome is cached).
-
assign
(self: pyrosetta.rosetta.protocols.loops.loop_closure.kinematic_closure.TorsionSweepingKinematicPerturber, : pyrosetta.rosetta.protocols.loops.loop_closure.kinematic_closure.TorsionSweepingKinematicPerturber) → pyrosetta.rosetta.protocols.loops.loop_closure.kinematic_closure.TorsionSweepingKinematicPerturber¶ C++: protocols::loops::loop_closure::kinematic_closure::TorsionSweepingKinematicPerturber::operator=(const class protocols::loops::loop_closure::kinematic_closure::TorsionSweepingKinematicPerturber &) –> class protocols::loops::loop_closure::kinematic_closure::TorsionSweepingKinematicPerturber &
-
clear_torsion_string_stack
(self: pyrosetta.rosetta.protocols.loops.loop_closure.kinematic_closure.KinematicPerturber) → None¶ C++: protocols::loops::loop_closure::kinematic_closure::KinematicPerturber::clear_torsion_string_stack() –> void
-
get_movemap
(self: pyrosetta.rosetta.protocols.loops.loop_closure.kinematic_closure.KinematicPerturber) → pyrosetta.rosetta.core.kinematics.MoveMap¶ C++: protocols::loops::loop_closure::kinematic_closure::KinematicPerturber::get_movemap() const –> class std::shared_ptr<const class core::kinematics::MoveMap>
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kinmover
(self: pyrosetta.rosetta.protocols.loops.loop_closure.kinematic_closure.KinematicPerturber) → pyrosetta.rosetta.std.weak_ptr_const_protocols_loops_loop_closure_kinematic_closure_KinematicMover_t¶ C++: protocols::loops::loop_closure::kinematic_closure::KinematicPerturber::kinmover() const –> class std::weak_ptr<const class protocols::loops::loop_closure::kinematic_closure::KinematicMover>
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max_sample_iterations
(self: pyrosetta.rosetta.protocols.loops.loop_closure.kinematic_closure.KinematicPerturber) → int¶ C++: protocols::loops::loop_closure::kinematic_closure::KinematicPerturber::max_sample_iterations() const –> unsigned long
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perturb_chain
(self: pyrosetta.rosetta.protocols.loops.loop_closure.kinematic_closure.TorsionSweepingKinematicPerturber, pose: pyrosetta.rosetta.core.pose.Pose, torsions: pyrosetta.rosetta.utility.vector1_double, bond_ang: pyrosetta.rosetta.utility.vector1_double, : pyrosetta.rosetta.utility.vector1_double) → None¶ movemap control NOT IMPLEMENTED in TorsionSweepingKP. It is also NOT NEEDED because you can use set_nonpivot_res_to_sweep instead.
C++: protocols::loops::loop_closure::kinematic_closure::TorsionSweepingKinematicPerturber::perturb_chain(const class core::pose::Pose &, class utility::vector1<double, class std::allocator<double> > &, class utility::vector1<double, class std::allocator<double> > &, class utility::vector1<double, class std::allocator<double> > &) –> void
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perturber_exhausted
(self: pyrosetta.rosetta.protocols.loops.loop_closure.kinematic_closure.TorsionSweepingKinematicPerturber) → bool¶ C++: protocols::loops::loop_closure::kinematic_closure::TorsionSweepingKinematicPerturber::perturber_exhausted() const –> bool
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perturber_type
(self: pyrosetta.rosetta.protocols.loops.loop_closure.kinematic_closure.TorsionSweepingKinematicPerturber) → str¶ C++: protocols::loops::loop_closure::kinematic_closure::TorsionSweepingKinematicPerturber::perturber_type() const –> std::string
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set_kinmover
(self: pyrosetta.rosetta.protocols.loops.loop_closure.kinematic_closure.KinematicPerturber, kinmover: pyrosetta.rosetta.std.weak_ptr_const_protocols_loops_loop_closure_kinematic_closure_KinematicMover_t) → None¶ C++: protocols::loops::loop_closure::kinematic_closure::KinematicPerturber::set_kinmover(class std::weak_ptr<const class protocols::loops::loop_closure::kinematic_closure::KinematicMover>) –> void
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set_max_sample_iterations
(self: pyrosetta.rosetta.protocols.loops.loop_closure.kinematic_closure.KinematicPerturber, sample_its: int) → None¶ C++: protocols::loops::loop_closure::kinematic_closure::KinematicPerturber::set_max_sample_iterations(unsigned long) –> void
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set_movemap
(self: pyrosetta.rosetta.protocols.loops.loop_closure.kinematic_closure.KinematicPerturber, mm: pyrosetta.rosetta.core.kinematics.MoveMap) → None¶ C++: protocols::loops::loop_closure::kinematic_closure::KinematicPerturber::set_movemap(class std::shared_ptr<const class core::kinematics::MoveMap>) –> void
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set_nonpivot_bb_torsion_id
(self: pyrosetta.rosetta.protocols.loops.loop_closure.kinematic_closure.TorsionSweepingKinematicPerturber, bbtorids: pyrosetta.rosetta.utility.vector1_unsigned_long) → None¶ C++: protocols::loops::loop_closure::kinematic_closure::TorsionSweepingKinematicPerturber::set_nonpivot_bb_torsion_id(const class utility::vector1<unsigned long, class std::allocator<unsigned long> > &) –> void
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set_nonpivot_res_to_sweep
(self: pyrosetta.rosetta.protocols.loops.loop_closure.kinematic_closure.TorsionSweepingKinematicPerturber, resids: pyrosetta.rosetta.utility.vector1_unsigned_long) → None¶ C++: protocols::loops::loop_closure::kinematic_closure::TorsionSweepingKinematicPerturber::set_nonpivot_res_to_sweep(const class utility::vector1<unsigned long, class std::allocator<unsigned long> > &) –> void
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set_pose_after_closure
(self: pyrosetta.rosetta.protocols.loops.loop_closure.kinematic_closure.KinematicPerturber, pose: pyrosetta.rosetta.core.pose.Pose, torsions: pyrosetta.rosetta.utility.vector1_double, : pyrosetta.rosetta.utility.vector1_double, : pyrosetta.rosetta.utility.vector1_double, : bool) → None¶ - 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
C++: protocols::loops::loop_closure::kinematic_closure::KinematicPerturber::set_pose_after_closure(class core::pose::Pose &, const class utility::vector1<double, class std::allocator<double> > &, const class utility::vector1<double, class std::allocator<double> > &, const class utility::vector1<double, class std::allocator<double> > &, bool) const –> void
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set_sweep_nsteps
(self: pyrosetta.rosetta.protocols.loops.loop_closure.kinematic_closure.TorsionSweepingKinematicPerturber, nsteps: pyrosetta.rosetta.utility.vector1_unsigned_long) → None¶ C++: protocols::loops::loop_closure::kinematic_closure::TorsionSweepingKinematicPerturber::set_sweep_nsteps(const class utility::vector1<unsigned long, class std::allocator<unsigned long> > &) –> void
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set_sweep_start_angle
(self: pyrosetta.rosetta.protocols.loops.loop_closure.kinematic_closure.TorsionSweepingKinematicPerturber, angles_in_degrees: pyrosetta.rosetta.utility.vector1_double) → None¶ C++: protocols::loops::loop_closure::kinematic_closure::TorsionSweepingKinematicPerturber::set_sweep_start_angle(const class utility::vector1<double, class std::allocator<double> > &) –> void
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set_sweep_step_size
(self: pyrosetta.rosetta.protocols.loops.loop_closure.kinematic_closure.TorsionSweepingKinematicPerturber, angle_steps_in_degrees: pyrosetta.rosetta.utility.vector1_double) → None¶ C++: protocols::loops::loop_closure::kinematic_closure::TorsionSweepingKinematicPerturber::set_sweep_step_size(const class utility::vector1<double, class std::allocator<double> > &) –> void
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class
pyrosetta.rosetta.protocols.loops.loop_closure.kinematic_closure.
VicinitySamplingKinematicPerturber
¶ Bases:
pyrosetta.rosetta.protocols.loops.loop_closure.kinematic_closure.KinematicPerturber
vicinity sampling kinematic perturber
Amelie Stein (just the refactoring)
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__delattr__
¶ Implement delattr(self, name).
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__dir__
() → list¶ default dir() implementation
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__eq__
¶ Return self==value.
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__format__
()¶ default object formatter
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__ge__
¶ Return self>=value.
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__getattribute__
¶ Return getattr(self, name).
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__gt__
¶ Return self>value.
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__hash__
¶ Return hash(self).
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__init__
(self: pyrosetta.rosetta.protocols.loops.loop_closure.kinematic_closure.VicinitySamplingKinematicPerturber, kinmover_in: pyrosetta.rosetta.std.weak_ptr_const_protocols_loops_loop_closure_kinematic_closure_KinematicMover_t) → None¶
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__init_subclass__
()¶ This method is called when a class is subclassed.
The default implementation does nothing. It may be overridden to extend subclasses.
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__le__
¶ Return self<=value.
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__lt__
¶ Return self<value.
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__ne__
¶ Return self!=value.
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__new__
()¶ Create and return a new object. See help(type) for accurate signature.
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__reduce__
()¶ helper for pickle
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__reduce_ex__
()¶ helper for pickle
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__repr__
¶ Return repr(self).
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__setattr__
¶ Implement setattr(self, name, value).
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__sizeof__
() → int¶ size of object in memory, in bytes
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__str__
¶ Return str(self).
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__subclasshook__
()¶ Abstract classes can override this to customize issubclass().
This is invoked early on by abc.ABCMeta.__subclasscheck__(). It should return True, False or NotImplemented. If it returns NotImplemented, the normal algorithm is used. Otherwise, it overrides the normal algorithm (and the outcome is cached).
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assign
(self: pyrosetta.rosetta.protocols.loops.loop_closure.kinematic_closure.VicinitySamplingKinematicPerturber, : pyrosetta.rosetta.protocols.loops.loop_closure.kinematic_closure.VicinitySamplingKinematicPerturber) → pyrosetta.rosetta.protocols.loops.loop_closure.kinematic_closure.VicinitySamplingKinematicPerturber¶ C++: protocols::loops::loop_closure::kinematic_closure::VicinitySamplingKinematicPerturber::operator=(const class protocols::loops::loop_closure::kinematic_closure::VicinitySamplingKinematicPerturber &) –> class protocols::loops::loop_closure::kinematic_closure::VicinitySamplingKinematicPerturber &
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clear_torsion_string_stack
(self: pyrosetta.rosetta.protocols.loops.loop_closure.kinematic_closure.KinematicPerturber) → None¶ C++: protocols::loops::loop_closure::kinematic_closure::KinematicPerturber::clear_torsion_string_stack() –> void
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get_movemap
(self: pyrosetta.rosetta.protocols.loops.loop_closure.kinematic_closure.KinematicPerturber) → pyrosetta.rosetta.core.kinematics.MoveMap¶ C++: protocols::loops::loop_closure::kinematic_closure::KinematicPerturber::get_movemap() const –> class std::shared_ptr<const class core::kinematics::MoveMap>
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kinmover
(self: pyrosetta.rosetta.protocols.loops.loop_closure.kinematic_closure.KinematicPerturber) → pyrosetta.rosetta.std.weak_ptr_const_protocols_loops_loop_closure_kinematic_closure_KinematicMover_t¶ C++: protocols::loops::loop_closure::kinematic_closure::KinematicPerturber::kinmover() const –> class std::weak_ptr<const class protocols::loops::loop_closure::kinematic_closure::KinematicMover>
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max_sample_iterations
(self: pyrosetta.rosetta.protocols.loops.loop_closure.kinematic_closure.KinematicPerturber) → int¶ C++: protocols::loops::loop_closure::kinematic_closure::KinematicPerturber::max_sample_iterations() const –> unsigned long
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perturb_chain
(self: pyrosetta.rosetta.protocols.loops.loop_closure.kinematic_closure.VicinitySamplingKinematicPerturber, pose: pyrosetta.rosetta.core.pose.Pose, torsions: pyrosetta.rosetta.utility.vector1_double, bond_ang: pyrosetta.rosetta.utility.vector1_double, : pyrosetta.rosetta.utility.vector1_double) → None¶ 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
C++: protocols::loops::loop_closure::kinematic_closure::VicinitySamplingKinematicPerturber::perturb_chain(const class core::pose::Pose &, class utility::vector1<double, class std::allocator<double> > &, class utility::vector1<double, class std::allocator<double> > &, class utility::vector1<double, class std::allocator<double> > &) –> void
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perturber_exhausted
(self: pyrosetta.rosetta.protocols.loops.loop_closure.kinematic_closure.KinematicPerturber) → bool¶ C++: protocols::loops::loop_closure::kinematic_closure::KinematicPerturber::perturber_exhausted() const –> bool
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perturber_type
(self: pyrosetta.rosetta.protocols.loops.loop_closure.kinematic_closure.VicinitySamplingKinematicPerturber) → str¶ C++: protocols::loops::loop_closure::kinematic_closure::VicinitySamplingKinematicPerturber::perturber_type() const –> std::string
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set_degree_vicinity
(self: pyrosetta.rosetta.protocols.loops.loop_closure.kinematic_closure.VicinitySamplingKinematicPerturber, degree_vicinity: float) → None¶ C++: protocols::loops::loop_closure::kinematic_closure::VicinitySamplingKinematicPerturber::set_degree_vicinity(double) –> void
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set_kinmover
(self: pyrosetta.rosetta.protocols.loops.loop_closure.kinematic_closure.KinematicPerturber, kinmover: pyrosetta.rosetta.std.weak_ptr_const_protocols_loops_loop_closure_kinematic_closure_KinematicMover_t) → None¶ C++: protocols::loops::loop_closure::kinematic_closure::KinematicPerturber::set_kinmover(class std::weak_ptr<const class protocols::loops::loop_closure::kinematic_closure::KinematicMover>) –> void
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set_max_sample_iterations
(self: pyrosetta.rosetta.protocols.loops.loop_closure.kinematic_closure.KinematicPerturber, sample_its: int) → None¶ C++: protocols::loops::loop_closure::kinematic_closure::KinematicPerturber::set_max_sample_iterations(unsigned long) –> void
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set_movemap
(self: pyrosetta.rosetta.protocols.loops.loop_closure.kinematic_closure.KinematicPerturber, mm: pyrosetta.rosetta.core.kinematics.MoveMap) → None¶ C++: protocols::loops::loop_closure::kinematic_closure::KinematicPerturber::set_movemap(class std::shared_ptr<const class core::kinematics::MoveMap>) –> void
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set_pose_after_closure
(self: pyrosetta.rosetta.protocols.loops.loop_closure.kinematic_closure.VicinitySamplingKinematicPerturber, pose: pyrosetta.rosetta.core.pose.Pose, torsions: pyrosetta.rosetta.utility.vector1_double, bond_ang: pyrosetta.rosetta.utility.vector1_double, bond_len: pyrosetta.rosetta.utility.vector1_double, closure_successful: bool) → None¶ C++: protocols::loops::loop_closure::kinematic_closure::VicinitySamplingKinematicPerturber::set_pose_after_closure(class core::pose::Pose &, const class utility::vector1<double, class std::allocator<double> > &, const class utility::vector1<double, class std::allocator<double> > &, const class utility::vector1<double, class std::allocator<double> > &, bool) const –> void
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set_vary_ca_bond_angles
(self: pyrosetta.rosetta.protocols.loops.loop_closure.kinematic_closure.VicinitySamplingKinematicPerturber, vary_ca_bond_angles: bool) → None¶ C++: protocols::loops::loop_closure::kinematic_closure::VicinitySamplingKinematicPerturber::set_vary_ca_bond_angles(bool) –> void
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