backrub¶
Bindings for protocols::backrub namespace
- class pyrosetta.rosetta.protocols.backrub.BackrubMover¶
Bases:
ThermodynamicMover
class for applying backrub moves to arbitrary protein segments
- add_mainchain_segments(*args, **kwargs)¶
Overloaded function.
add_mainchain_segments(self: pyrosetta.rosetta.protocols.backrub.BackrubMover, atomids: pyrosetta.rosetta.utility.vector1_core_id_AtomID, min_atoms: int, max_atoms: int) -> int
add segments between a list of mainchain atomids
C++: protocols::backrub::BackrubMover::add_mainchain_segments(class utility::vector1<class core::id::AtomID, class std::allocator<class core::id::AtomID> >, unsigned long, unsigned long) –> unsigned long
add_mainchain_segments(self: pyrosetta.rosetta.protocols.backrub.BackrubMover, resnums: pyrosetta.rosetta.utility.vector1_unsigned_long, atomnames: pyrosetta.rosetta.utility.vector1_std_string, min_atoms: int, max_atoms: int) -> int
add segments between mainchain atoms in contiguous stretches of residues
C++: protocols::backrub::BackrubMover::add_mainchain_segments(class utility::vector1<unsigned long, class std::allocator<unsigned long> >, class utility::vector1<std::string, class std::allocator<std::string > >, unsigned long, unsigned long) –> unsigned long
add_mainchain_segments(self: pyrosetta.rosetta.protocols.backrub.BackrubMover, pose: pyrosetta.rosetta.core.pose.Pose) -> int
add segments between mainchain atoms for the given pose, using stored parameters
C++: protocols::backrub::BackrubMover::add_mainchain_segments(const class core::pose::Pose &) –> unsigned long
- add_mainchain_segments_from_options(self: pyrosetta.rosetta.protocols.backrub.BackrubMover, pose: pyrosetta.rosetta.core.pose.Pose) int ¶
add segments between mainchain atoms for the given pose, using command line options
C++: protocols::backrub::BackrubMover::add_mainchain_segments_from_options(const class core::pose::Pose &) –> unsigned long
- add_segment(*args, **kwargs)¶
Overloaded function.
add_segment(self: pyrosetta.rosetta.protocols.backrub.BackrubMover, start_atomid: pyrosetta.rosetta.core.id.AtomID, end_atomid: pyrosetta.rosetta.core.id.AtomID) -> int
add_segment(self: pyrosetta.rosetta.protocols.backrub.BackrubMover, start_atomid: pyrosetta.rosetta.core.id.AtomID, end_atomid: pyrosetta.rosetta.core.id.AtomID, max_angle_disp: float) -> int
add a segment to the mover
C++: protocols::backrub::BackrubMover::add_segment(class core::id::AtomID, class core::id::AtomID, double) –> unsigned long
- apply(self: pyrosetta.rosetta.protocols.backrub.BackrubMover, pose: pyrosetta.rosetta.core.pose.Pose) None ¶
C++: protocols::backrub::BackrubMover::apply(class core::pose::Pose &) –> void
- assign(self: pyrosetta.rosetta.protocols.canonical_sampling.ThermodynamicMover, : pyrosetta.rosetta.protocols.canonical_sampling.ThermodynamicMover) pyrosetta.rosetta.protocols.canonical_sampling.ThermodynamicMover ¶
C++: protocols::canonical_sampling::ThermodynamicMover::operator=(const class protocols::canonical_sampling::ThermodynamicMover &) –> class protocols::canonical_sampling::ThermodynamicMover &
- branchopt(self: pyrosetta.rosetta.protocols.backrub.BackrubMover) pyrosetta.rosetta.protocols.branch_angle.BranchAngleOptimizer ¶
get the branch angle optimizer stored in the mover
C++: protocols::backrub::BackrubMover::branchopt() –> class protocols::branch_angle::BranchAngleOptimizer &
- 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 apply
C++: protocols::moves::Mover::clear_info() –> void
- clear_segments(self: pyrosetta.rosetta.protocols.backrub.BackrubMover) None ¶
remove all segements
C++: protocols::backrub::BackrubMover::clear_segments() –> void
- clone(self: pyrosetta.rosetta.protocols.backrub.BackrubMover) pyrosetta.rosetta.protocols.moves.Mover ¶
C++: protocols::backrub::BackrubMover::clone() const –> class std::shared_ptr<class protocols::moves::Mover>
- static complex_type_generator_for_backrub_mover(xsd: utility::tag::XMLSchemaDefinition) utility::tag::XMLSchemaComplexTypeGenerator ¶
C++: protocols::backrub::BackrubMover::complex_type_generator_for_backrub_mover(class utility::tag::XMLSchemaDefinition &) –> class std::shared_ptr<class utility::tag::XMLSchemaComplexTypeGenerator>
- 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>
- custom_angle(self: pyrosetta.rosetta.protocols.backrub.BackrubMover) bool ¶
get whether rotation angle is customized
C++: protocols::backrub::BackrubMover::custom_angle() const –> bool
- finalize_simulation(self: pyrosetta.rosetta.protocols.canonical_sampling.ThermodynamicMover, pose: pyrosetta.rosetta.core.pose.Pose, metropolis_hastings_mover: protocols::canonical_sampling::MetropolisHastingsMover) None ¶
Callback executed after all Monte Carlo trials are completed.
C++: protocols::canonical_sampling::ThermodynamicMover::finalize_simulation(class core::pose::Pose &, const class protocols::canonical_sampling::MetropolisHastingsMover &) –> void
- fresh_instance(self: pyrosetta.rosetta.protocols.backrub.BackrubMover) pyrosetta.rosetta.protocols.moves.Mover ¶
C++: protocols::backrub::BackrubMover::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.
Supported in JD2. Will attempt to grab additional poses until a nullptr is returned.
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.backrub.BackrubMover) str ¶
C++: protocols::backrub::BackrubMover::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
- has_segment(self: pyrosetta.rosetta.protocols.backrub.BackrubMover, start_atomid: pyrosetta.rosetta.core.id.AtomID, end_atomid: pyrosetta.rosetta.core.id.AtomID) bool ¶
determine whether a given segment exists
C++: protocols::backrub::BackrubMover::has_segment(class core::id::AtomID, class core::id::AtomID) –> bool
- info(self: pyrosetta.rosetta.protocols.moves.Mover) pyrosetta.rosetta.std.list_std_string_t ¶
non-const accessor
C++: protocols::moves::Mover::info() –> class std::list<std::string, class std::allocator<std::string > > &
- init_with_options(self: pyrosetta.rosetta.protocols.backrub.BackrubMover) None ¶
C++: protocols::backrub::BackrubMover::init_with_options() –> void
- initialize_simulation(self: pyrosetta.rosetta.protocols.backrub.BackrubMover, pose: pyrosetta.rosetta.core.pose.Pose, metropolis_hastings_mover: protocols::canonical_sampling::MetropolisHastingsMover, cycle: int) None ¶
C++: protocols::backrub::BackrubMover::initialize_simulation(class core::pose::Pose &, const class protocols::canonical_sampling::MetropolisHastingsMover &, unsigned long) –> void
- is_multi_trial(self: pyrosetta.rosetta.protocols.canonical_sampling.ThermodynamicMover) bool ¶
Return true if the move performs multiple trials on each apply.
last_inner_score_delta_over_temperature()
metropolis_hastings_mover()
set_metropolis_hastings_mover()
C++: protocols::canonical_sampling::ThermodynamicMover::is_multi_trial() –> bool
- last_angle(self: pyrosetta.rosetta.protocols.backrub.BackrubMover) float ¶
get the last rotation angle
C++: protocols::backrub::BackrubMover::last_angle() const –> double
- last_end_atom_name(self: pyrosetta.rosetta.protocols.backrub.BackrubMover) str ¶
get the name of the atom at the end of the last segment
C++: protocols::backrub::BackrubMover::last_end_atom_name() const –> std::string
- last_inner_score_delta_over_temperature(self: pyrosetta.rosetta.protocols.canonical_sampling.ThermodynamicMover) float ¶
- If this is a multi-trial move, return the change in internal
score/temperature caused by the last call to apply().
is_multi_trial()
C++: protocols::canonical_sampling::ThermodynamicMover::last_inner_score_delta_over_temperature() –> double
- last_proposal_density_ratio(self: pyrosetta.rosetta.protocols.canonical_sampling.ThermodynamicMover) float ¶
Return the proposal density ratio for last apply method.
C++: protocols::canonical_sampling::ThermodynamicMover::last_proposal_density_ratio() –> double
- last_segment_id(self: pyrosetta.rosetta.protocols.backrub.BackrubMover) int ¶
get id the last backrub segment moved
C++: protocols::backrub::BackrubMover::last_segment_id() const –> unsigned long
- last_start_atom_name(self: pyrosetta.rosetta.protocols.backrub.BackrubMover) str ¶
get the name of the atom at the start of the last segment
C++: protocols::backrub::BackrubMover::last_start_atom_name() const –> std::string
- max_angle_disp_4(self: pyrosetta.rosetta.protocols.backrub.BackrubMover) float ¶
get maximum angular displacement for 4 atom segments
C++: protocols::backrub::BackrubMover::max_angle_disp_4() const –> double
- max_angle_disp_7(self: pyrosetta.rosetta.protocols.backrub.BackrubMover) float ¶
get maximum angular displacement for 7 atom segments
C++: protocols::backrub::BackrubMover::max_angle_disp_7() const –> double
- max_angle_disp_slope(self: pyrosetta.rosetta.protocols.backrub.BackrubMover) float ¶
get maximum angular displacement slope for other atom segments
C++: protocols::backrub::BackrubMover::max_angle_disp_slope() const –> double
- max_atoms(self: pyrosetta.rosetta.protocols.backrub.BackrubMover) int ¶
get maximum segment length if no segments manually defined
C++: protocols::backrub::BackrubMover::max_atoms() const –> unsigned long
- metropolis_hastings_mover(self: pyrosetta.rosetta.protocols.canonical_sampling.ThermodynamicMover) pyrosetta.rosetta.std.weak_ptr_protocols_canonical_sampling_MetropolisHastingsMover_t ¶
- If this is a multi-trial move, return the MetropolisHastingsMover
being used internally.
is_multi_trial()
C++: protocols::canonical_sampling::ThermodynamicMover::metropolis_hastings_mover() –> class std::weak_ptr<class protocols::canonical_sampling::MetropolisHastingsMover>
- min_atoms(self: pyrosetta.rosetta.protocols.backrub.BackrubMover) int ¶
get minimum segment length if no segments manually defined
C++: protocols::backrub::BackrubMover::min_atoms() const –> unsigned long
- static mover_name() str ¶
C++: protocols::backrub::BackrubMover::mover_name() –> std::string
- static name() str ¶
C++: protocols::moves::Mover::name() –> std::string
- next_angle(self: pyrosetta.rosetta.protocols.backrub.BackrubMover) float ¶
get the rotation angle for the next move
C++: protocols::backrub::BackrubMover::next_angle() const –> double
- next_segment_id(self: pyrosetta.rosetta.protocols.backrub.BackrubMover) int ¶
set the id for the next move (i.e. nonrandom)
C++: protocols::backrub::BackrubMover::next_segment_id() const –> unsigned long
- num_segments(self: pyrosetta.rosetta.protocols.backrub.BackrubMover) int ¶
get the number of segments
C++: protocols::backrub::BackrubMover::num_segments() –> unsigned long
- observe_after_metropolis(self: pyrosetta.rosetta.protocols.canonical_sampling.ThermodynamicMover, metropolis_hastings_mover: protocols::canonical_sampling::MetropolisHastingsMover) None ¶
Callback executed after the Metropolis criterion is evaluated.
C++: protocols::canonical_sampling::ThermodynamicMover::observe_after_metropolis(const class protocols::canonical_sampling::MetropolisHastingsMover &) –> void
- optimize_branch_angles(self: pyrosetta.rosetta.protocols.backrub.BackrubMover, pose: pyrosetta.rosetta.core.pose.Pose) None ¶
optimize branching atoms for all segment pivot atoms
C++: protocols::backrub::BackrubMover::optimize_branch_angles(class core::pose::Pose &) –> void
- parse_movemap_factory(self: pyrosetta.rosetta.protocols.backrub.BackrubMover, tag: pyrosetta.rosetta.utility.tag.Tag, data: pyrosetta.rosetta.basic.datacache.DataMap) None ¶
C++: protocols::backrub::BackrubMover::parse_movemap_factory(class std::shared_ptr<const class utility::tag::Tag>, class basic::datacache::DataMap &) –> void
- parse_my_tag(self: pyrosetta.rosetta.protocols.backrub.BackrubMover, tag: pyrosetta.rosetta.utility.tag.Tag, data: pyrosetta.rosetta.basic.datacache.DataMap) None ¶
C++: protocols::backrub::BackrubMover::parse_my_tag(class std::shared_ptr<const class utility::tag::Tag>, class basic::datacache::DataMap &) –> void
- pivot_atoms(self: pyrosetta.rosetta.protocols.backrub.BackrubMover) pyrosetta.rosetta.utility.vector1_std_string ¶
get atom names to pivot if no segments manually defined
C++: protocols::backrub::BackrubMover::pivot_atoms() const –> const class utility::vector1<std::string, class std::allocator<std::string > > &
- pivot_residues(self: pyrosetta.rosetta.protocols.backrub.BackrubMover, pose: pyrosetta.rosetta.core.pose.Pose) pyrosetta.rosetta.utility.vector1_unsigned_long ¶
get residues to pivot if no segments manually defined
C++: protocols::backrub::BackrubMover::pivot_residues(const class core::pose::Pose &) const –> class utility::vector1<unsigned long, class std::allocator<unsigned long> >
- preserve_detailed_balance(self: pyrosetta.rosetta.protocols.backrub.BackrubMover) bool ¶
get whether detailed balance is preserved (i.e. no branch angle optimization during moves)
C++: protocols::backrub::BackrubMover::preserve_detailed_balance() const –> bool
- provide_citation_info(self: pyrosetta.rosetta.protocols.moves.Mover, : pyrosetta.rosetta.basic.citation_manager.CitationCollectionList) None ¶
- Provide citations to the passed CitationCollectionList
Subclasses should add the info for themselves and any other classes they use.
The default implementation of this function does nothing. It may be overriden by movers wishing to provide citation information.
C++: protocols::moves::Mover::provide_citation_info(class basic::citation_manager::CitationCollectionList &) const –> void
- static provide_xml_schema(xsd: utility::tag::XMLSchemaDefinition) None ¶
C++: protocols::backrub::BackrubMover::provide_xml_schema(class utility::tag::XMLSchemaDefinition &) –> void
- random_angle(self: pyrosetta.rosetta.protocols.backrub.BackrubMover, pose: pyrosetta.rosetta.core.pose.Pose, segment_id: int, start_constants: pyrosetta.rosetta.utility.vector0_double, end_constants: pyrosetta.rosetta.utility.vector0_double) float ¶
get a random angle for a segment subject to bond angle and rotation constraints
C++: protocols::backrub::BackrubMover::random_angle(class core::pose::Pose &, unsigned long, class utility::vector0<double, class std::allocator<double> > &, class utility::vector0<double, class std::allocator<double> > &) –> double
- static 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
- require_mm_bend(self: pyrosetta.rosetta.protocols.backrub.BackrubMover) bool ¶
get whether to exit during initialize_simulation if the mm_bend term isn’t turned on
C++: protocols::backrub::BackrubMover::require_mm_bend() 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
- rotate_segment(self: pyrosetta.rosetta.protocols.backrub.BackrubMover, pose: pyrosetta.rosetta.core.pose.Pose, segment_id: int, angle: float, start_constants: pyrosetta.rosetta.utility.vector0_double, end_constants: pyrosetta.rosetta.utility.vector0_double) None ¶
do a manual rotation about the given segment
C++: protocols::backrub::BackrubMover::rotate_segment(class core::pose::Pose &, unsigned long, double, class utility::vector0<double, class std::allocator<double> > &, class utility::vector0<double, class std::allocator<double> > &) –> void
- segment(self: pyrosetta.rosetta.protocols.backrub.BackrubMover, segment_id: int) pyrosetta.rosetta.protocols.backrub.BackrubSegment ¶
get a particular segment
C++: protocols::backrub::BackrubMover::segment(unsigned long) –> const class protocols::backrub::BackrubSegment &
- segment_id(self: pyrosetta.rosetta.protocols.backrub.BackrubMover, start_atomid: pyrosetta.rosetta.core.id.AtomID, end_atomid: pyrosetta.rosetta.core.id.AtomID) int ¶
get the segment ID for a given starting and ending atom
if the segment ID does not exist, 0 is returned
C++: protocols::backrub::BackrubMover::segment_id(class core::id::AtomID, class core::id::AtomID) –> unsigned long
- set_current_job(self: pyrosetta.rosetta.protocols.moves.Mover, job: protocols::jobdist::BasicJob) None ¶
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 std::string &) –> void
- set_custom_angle(self: pyrosetta.rosetta.protocols.backrub.BackrubMover, custom_angle: bool) None ¶
set whether rotation angle is customized
C++: protocols::backrub::BackrubMover::set_custom_angle(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_max_angle_disp_4(self: pyrosetta.rosetta.protocols.backrub.BackrubMover, max_angle_disp_4: float) None ¶
set maximum angular displacement for 4 atom segments
C++: protocols::backrub::BackrubMover::set_max_angle_disp_4(double) –> void
- set_max_angle_disp_7(self: pyrosetta.rosetta.protocols.backrub.BackrubMover, max_angle_disp_7: float) None ¶
set maximum angular displacement for 7 atom segments
C++: protocols::backrub::BackrubMover::set_max_angle_disp_7(double) –> void
- set_max_angle_disp_slope(self: pyrosetta.rosetta.protocols.backrub.BackrubMover, max_angle_disp_slope: float) None ¶
set maximum angular displacement slope for other atom segments
C++: protocols::backrub::BackrubMover::set_max_angle_disp_slope(double) –> void
- set_max_atoms(self: pyrosetta.rosetta.protocols.backrub.BackrubMover, max_atoms: int) None ¶
set maximum segment length if no segments manually defined
C++: protocols::backrub::BackrubMover::set_max_atoms(unsigned long) –> void
- set_metropolis_hastings_mover(self: pyrosetta.rosetta.protocols.canonical_sampling.ThermodynamicMover, metropolis_hastings_mover: pyrosetta.rosetta.std.weak_ptr_protocols_canonical_sampling_MetropolisHastingsMover_t) None ¶
- If this is a multi-trial move, set the MetropolisHastingsMover to
be used internally.
is_multi_trial()
C++: protocols::canonical_sampling::ThermodynamicMover::set_metropolis_hastings_mover(class std::weak_ptr<class protocols::canonical_sampling::MetropolisHastingsMover>) –> void
- set_min_atoms(self: pyrosetta.rosetta.protocols.backrub.BackrubMover, min_atoms: int) None ¶
set minimum segment length if no segments manually defined
C++: protocols::backrub::BackrubMover::set_min_atoms(unsigned long) –> void
- set_movemap(self: pyrosetta.rosetta.protocols.backrub.BackrubMover, movemap: pyrosetta.rosetta.core.kinematics.MoveMap) None ¶
- Sets Pivot Residues from the Movemap. Each contiguous set of residues
with BB enabled will be used as a segment.
C++: protocols::backrub::BackrubMover::set_movemap(class std::shared_ptr<const class core::kinematics::MoveMap>) –> void
- set_movemap_factory(self: pyrosetta.rosetta.protocols.backrub.BackrubMover, mmf: pyrosetta.rosetta.core.select.movemap.MoveMapFactory) None ¶
Sets up movemap from the movemap factory inputs.
C++: protocols::backrub::BackrubMover::set_movemap_factory(class std::shared_ptr<const class core::select::movemap::MoveMapFactory>) –> 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_next_angle(self: pyrosetta.rosetta.protocols.backrub.BackrubMover, next_angle: float) None ¶
set the rotation angle for the next move
C++: protocols::backrub::BackrubMover::set_next_angle(double) –> void
- set_next_segment_id(self: pyrosetta.rosetta.protocols.backrub.BackrubMover, next_segment_id: int) None ¶
set the id for the next move (i.e. nonrandom)
C++: protocols::backrub::BackrubMover::set_next_segment_id(unsigned long) –> void
- set_pivot_atoms(self: pyrosetta.rosetta.protocols.backrub.BackrubMover, pivot_atoms: pyrosetta.rosetta.utility.vector1_std_string) None ¶
set atom names to pivot if no segments manually defined
C++: protocols::backrub::BackrubMover::set_pivot_atoms(const class utility::vector1<std::string, class std::allocator<std::string > > &) –> void
- set_pivot_residue_selector(self: pyrosetta.rosetta.protocols.backrub.BackrubMover, pivot_residues: pyrosetta.rosetta.core.select.residue_selector.ResidueSelector) None ¶
C++: protocols::backrub::BackrubMover::set_pivot_residue_selector(class std::shared_ptr<const class core::select::residue_selector::ResidueSelector>) –> void
- set_pivot_residues(self: pyrosetta.rosetta.protocols.backrub.BackrubMover, pivot_residues: pyrosetta.rosetta.utility.vector1_unsigned_long) None ¶
set residues to pivot if no segments manually defined
C++: protocols::backrub::BackrubMover::set_pivot_residues(const class utility::vector1<unsigned long, class std::allocator<unsigned long> > &) –> void
- set_preserve_detailed_balance(self: pyrosetta.rosetta.protocols.backrub.BackrubMover, preserve_detailed_balance: bool) None ¶
set whether detailed balance is preserved (i.e. no branch angle optimization during moves)
C++: protocols::backrub::BackrubMover::set_preserve_detailed_balance(bool) –> void
- set_require_mm_bend(self: pyrosetta.rosetta.protocols.backrub.BackrubMover, require_mm_bend: bool) None ¶
set whether to exit during initialize_simulation if the mm_bend term isn’t turned on
C++: protocols::backrub::BackrubMover::set_require_mm_bend(bool) –> void
- set_type(self: pyrosetta.rosetta.protocols.moves.Mover, setting: str) None ¶
Set the ‘type’ string
C++: protocols::moves::Mover::set_type(const std::string &) –> 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(std::ostream &) 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
- torsion_id_ranges(self: pyrosetta.rosetta.protocols.backrub.BackrubMover, pose: pyrosetta.rosetta.core.pose.Pose) pyrosetta.rosetta.utility.vector1_core_id_TorsionID_Range ¶
get the TorsionIDs perturbed by the mover during moves, along with their ranges
C++: protocols::backrub::BackrubMover::torsion_id_ranges(class core::pose::Pose &) –> class utility::vector1<class core::id::TorsionID_Range, class std::allocator<class core::id::TorsionID_Range> >
- type(*args, **kwargs)¶
Overloaded function.
type(self: pyrosetta.rosetta.protocols.moves.Mover, type_in: str) -> None
Set the ‘type’ string
C++: protocols::moves::Mover::type(const std::string &) –> void
type(self: pyrosetta.rosetta.protocols.moves.Mover) -> str
Get the set ‘type’ string
C++: protocols::moves::Mover::type() const –> const std::string &
- update_type(self: pyrosetta.rosetta.protocols.backrub.BackrubMover) None ¶
update string describing the move type
C++: protocols::backrub::BackrubMover::update_type() –> void
- class pyrosetta.rosetta.protocols.backrub.BackrubMoverCreator¶
Bases:
MoverCreator
- assign(self: pyrosetta.rosetta.protocols.backrub.BackrubMoverCreator, : pyrosetta.rosetta.protocols.backrub.BackrubMoverCreator) pyrosetta.rosetta.protocols.backrub.BackrubMoverCreator ¶
C++: protocols::backrub::BackrubMoverCreator::operator=(const class protocols::backrub::BackrubMoverCreator &) –> class protocols::backrub::BackrubMoverCreator &
- create_mover(self: pyrosetta.rosetta.protocols.backrub.BackrubMoverCreator) pyrosetta.rosetta.protocols.moves.Mover ¶
C++: protocols::backrub::BackrubMoverCreator::create_mover() const –> class std::shared_ptr<class protocols::moves::Mover>
- keyname(self: pyrosetta.rosetta.protocols.backrub.BackrubMoverCreator) str ¶
C++: protocols::backrub::BackrubMoverCreator::keyname() const –> std::string
- class pyrosetta.rosetta.protocols.backrub.BackrubProtocol¶
Bases:
Mover
- apply(self: pyrosetta.rosetta.protocols.backrub.BackrubProtocol, pose: pyrosetta.rosetta.core.pose.Pose) None ¶
C++: protocols::backrub::BackrubProtocol::apply(class core::pose::Pose &) –> void
- assign(self: pyrosetta.rosetta.protocols.backrub.BackrubProtocol, : pyrosetta.rosetta.protocols.backrub.BackrubProtocol) pyrosetta.rosetta.protocols.backrub.BackrubProtocol ¶
C++: protocols::backrub::BackrubProtocol::operator=(const class protocols::backrub::BackrubProtocol &) –> class protocols::backrub::BackrubProtocol &
- 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 apply
C++: protocols::moves::Mover::clear_info() –> void
- clone(self: pyrosetta.rosetta.protocols.backrub.BackrubProtocol) pyrosetta.rosetta.protocols.moves.Mover ¶
C++: protocols::backrub::BackrubProtocol::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.backrub.BackrubProtocol) pyrosetta.rosetta.protocols.moves.Mover ¶
C++: protocols::backrub::BackrubProtocol::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.
Supported in JD2. Will attempt to grab additional poses until a nullptr is returned.
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.backrub.BackrubProtocol) str ¶
C++: protocols::backrub::BackrubProtocol::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_pivot_residues(self: pyrosetta.rosetta.protocols.backrub.BackrubProtocol) pyrosetta.rosetta.utility.vector1_unsigned_long ¶
C++: protocols::backrub::BackrubProtocol::get_pivot_residues() const –> class utility::vector1<unsigned long, class std::allocator<unsigned long> >
- 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_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
- static mover_name() str ¶
C++: protocols::backrub::BackrubProtocol::mover_name() –> std::string
- static name() str ¶
C++: protocols::moves::Mover::name() –> std::string
- parse_my_tag(self: pyrosetta.rosetta.protocols.backrub.BackrubProtocol, tag: pyrosetta.rosetta.utility.tag.Tag, data: pyrosetta.rosetta.basic.datacache.DataMap) None ¶
C++: protocols::backrub::BackrubProtocol::parse_my_tag(class std::shared_ptr<const class utility::tag::Tag>, class basic::datacache::DataMap &) –> void
- provide_citation_info(self: pyrosetta.rosetta.protocols.moves.Mover, : pyrosetta.rosetta.basic.citation_manager.CitationCollectionList) None ¶
- Provide citations to the passed CitationCollectionList
Subclasses should add the info for themselves and any other classes they use.
The default implementation of this function does nothing. It may be overriden by movers wishing to provide citation information.
C++: protocols::moves::Mover::provide_citation_info(class basic::citation_manager::CitationCollectionList &) const –> void
- static provide_xml_schema(xsd: utility::tag::XMLSchemaDefinition) None ¶
C++: protocols::backrub::BackrubProtocol::provide_xml_schema(class utility::tag::XMLSchemaDefinition &) –> void
- static 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
- set_backrub_mover(self: pyrosetta.rosetta.protocols.backrub.BackrubProtocol, backrub_mover: pyrosetta.rosetta.protocols.backrub.BackrubMover) None ¶
Set a pre-configured Backrub Mover.
C++: protocols::backrub::BackrubProtocol::set_backrub_mover(class std::shared_ptr<class protocols::backrub::BackrubMover>) –> void
- set_current_job(self: pyrosetta.rosetta.protocols.moves.Mover, job: protocols::jobdist::BasicJob) None ¶
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 std::string &) –> 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_movemap(self: pyrosetta.rosetta.protocols.backrub.BackrubProtocol, movemap: pyrosetta.rosetta.core.kinematics.MoveMap) None ¶
- Set the movemap for the whole protocol.
Uses contiguous backbone regions for backrub to set pivot residues Within these segments, backrub will occur.
C++: protocols::backrub::BackrubProtocol::set_movemap(class std::shared_ptr<const class core::kinematics::MoveMap>) –> void
- set_movemap_smallmover(self: pyrosetta.rosetta.protocols.backrub.BackrubProtocol, movemap: pyrosetta.rosetta.core.kinematics.MoveMap) None ¶
Set the MoveMap that will only be used for the SmallMover.
C++: protocols::backrub::BackrubProtocol::set_movemap_smallmover(class std::shared_ptr<const class core::kinematics::MoveMap>) –> 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_pivot_atoms(self: pyrosetta.rosetta.protocols.backrub.BackrubProtocol, pivot_atoms: pyrosetta.rosetta.utility.vector1_std_string) None ¶
- Set the type of atoms to use for backrub. These are atom names.
Default is to only use CA as pivots.
C++: protocols::backrub::BackrubProtocol::set_pivot_atoms(class utility::vector1<std::string, class std::allocator<std::string > >) –> void
- set_pivot_residues(self: pyrosetta.rosetta.protocols.backrub.BackrubProtocol, pivot_residues: pyrosetta.rosetta.utility.vector1_unsigned_long) None ¶
- Set the pivot residues for backrub.
Will use contiguous residues as segments. Within these segments, backrub will occur.
C++: protocols::backrub::BackrubProtocol::set_pivot_residues(class utility::vector1<unsigned long, class std::allocator<unsigned long> >) –> void
- set_pivots_from_residue_subset(self: pyrosetta.rosetta.protocols.backrub.BackrubProtocol, residue_subset: pyrosetta.rosetta.utility.vector1_bool) None ¶
C++: protocols::backrub::BackrubProtocol::set_pivots_from_residue_subset(class utility::vector1<bool, class std::allocator<bool> >) –> void
- set_scorefunction(self: pyrosetta.rosetta.protocols.backrub.BackrubProtocol, scorefxn: pyrosetta.rosetta.core.scoring.ScoreFunction) None ¶
- Set the Scorefunction.
NOTE: Clones the scorefxn.
C++: protocols::backrub::BackrubProtocol::set_scorefunction(class std::shared_ptr<const class core::scoring::ScoreFunction>) –> void
- set_taskfactory(self: pyrosetta.rosetta.protocols.backrub.BackrubProtocol, tf: pyrosetta.rosetta.core.pack.task.TaskFactory) None ¶
- Set the taskfactory used for sidechain moves.
NOTE: Clones the TF. Sets C-Beta off as they are not compatable with branch angle optimization.
C++: protocols::backrub::BackrubProtocol::set_taskfactory(class std::shared_ptr<const class core::pack::task::TaskFactory>) –> void
- set_type(self: pyrosetta.rosetta.protocols.moves.Mover, setting: str) None ¶
Set the ‘type’ string
C++: protocols::moves::Mover::set_type(const std::string &) –> 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(std::ostream &) 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, type_in: str) -> None
Set the ‘type’ string
C++: protocols::moves::Mover::type(const std::string &) –> void
type(self: pyrosetta.rosetta.protocols.moves.Mover) -> str
Get the set ‘type’ string
C++: protocols::moves::Mover::type() const –> const std::string &
- write_database(self: pyrosetta.rosetta.protocols.backrub.BackrubProtocol) None ¶
C++: protocols::backrub::BackrubProtocol::write_database() –> void
- class pyrosetta.rosetta.protocols.backrub.BackrubProtocolCreator¶
Bases:
MoverCreator
- assign(self: pyrosetta.rosetta.protocols.backrub.BackrubProtocolCreator, : pyrosetta.rosetta.protocols.backrub.BackrubProtocolCreator) pyrosetta.rosetta.protocols.backrub.BackrubProtocolCreator ¶
C++: protocols::backrub::BackrubProtocolCreator::operator=(const class protocols::backrub::BackrubProtocolCreator &) –> class protocols::backrub::BackrubProtocolCreator &
- create_mover(self: pyrosetta.rosetta.protocols.backrub.BackrubProtocolCreator) pyrosetta.rosetta.protocols.moves.Mover ¶
C++: protocols::backrub::BackrubProtocolCreator::create_mover() const –> class std::shared_ptr<class protocols::moves::Mover>
- keyname(self: pyrosetta.rosetta.protocols.backrub.BackrubProtocolCreator) str ¶
C++: protocols::backrub::BackrubProtocolCreator::keyname() const –> std::string
- class pyrosetta.rosetta.protocols.backrub.BackrubSegment¶
Bases:
pybind11_object
a class for holind information about individual backrub segments
- angle_disp(self: pyrosetta.rosetta.protocols.backrub.BackrubSegment) float ¶
get overall angular displacement
C++: protocols::backrub::BackrubSegment::angle_disp() const –> double
- end_atomid(self: pyrosetta.rosetta.protocols.backrub.BackrubSegment) pyrosetta.rosetta.core.id.AtomID ¶
get AtomID of starting atom
C++: protocols::backrub::BackrubSegment::end_atomid() const –> class core::id::AtomID
- end_atoms1(self: pyrosetta.rosetta.protocols.backrub.BackrubSegment, pose: pyrosetta.rosetta.core.pose.Pose, end_atom_m1: pyrosetta.rosetta.core.kinematics.tree.Atom, end_atom: pyrosetta.rosetta.core.kinematics.tree.Atom, end_atom_p1: pyrosetta.rosetta.core.kinematics.tree.Atom) None ¶
get mainchain atom tree atoms 1 bond away from the end pivot
C++: protocols::backrub::BackrubSegment::end_atoms1(const class core::pose::Pose &, class std::shared_ptr<const class core::kinematics::tree::Atom> &, class std::shared_ptr<const class core::kinematics::tree::Atom> &, class std::shared_ptr<const class core::kinematics::tree::Atom> &) const –> void
- end_atoms2(self: pyrosetta.rosetta.protocols.backrub.BackrubSegment, pose: pyrosetta.rosetta.core.pose.Pose, end_atom_m2: pyrosetta.rosetta.core.kinematics.tree.Atom, end_atom_m1: pyrosetta.rosetta.core.kinematics.tree.Atom, end_atom: pyrosetta.rosetta.core.kinematics.tree.Atom, end_atom_p1: pyrosetta.rosetta.core.kinematics.tree.Atom, end_atom_p2: pyrosetta.rosetta.core.kinematics.tree.Atom) None ¶
get mainchain atom tree atoms 2 bonds away from the end pivot
C++: protocols::backrub::BackrubSegment::end_atoms2(const class core::pose::Pose &, class std::shared_ptr<const class core::kinematics::tree::Atom> &, class std::shared_ptr<const class core::kinematics::tree::Atom> &, class std::shared_ptr<const class core::kinematics::tree::Atom> &, class std::shared_ptr<const class core::kinematics::tree::Atom> &, class std::shared_ptr<const class core::kinematics::tree::Atom> &) const –> void
- max_angle_disp(self: pyrosetta.rosetta.protocols.backrub.BackrubSegment) float ¶
get maximum angular displacement
C++: protocols::backrub::BackrubSegment::max_angle_disp() const –> double
- size(self: pyrosetta.rosetta.protocols.backrub.BackrubSegment) int ¶
get the segment size
C++: protocols::backrub::BackrubSegment::size() const –> unsigned long
- start_atomid(self: pyrosetta.rosetta.protocols.backrub.BackrubSegment) pyrosetta.rosetta.core.id.AtomID ¶
get AtomID of starting atom
C++: protocols::backrub::BackrubSegment::start_atomid() const –> class core::id::AtomID
- start_atomid1(self: pyrosetta.rosetta.protocols.backrub.BackrubSegment) pyrosetta.rosetta.core.id.AtomID ¶
get AtomID of first atom along the path from start to end
C++: protocols::backrub::BackrubSegment::start_atomid1() const –> class core::id::AtomID
- start_atomid2(self: pyrosetta.rosetta.protocols.backrub.BackrubSegment) pyrosetta.rosetta.core.id.AtomID ¶
get AtomID of second atom along the path from start to end
C++: protocols::backrub::BackrubSegment::start_atomid2() const –> class core::id::AtomID
- start_atoms1(self: pyrosetta.rosetta.protocols.backrub.BackrubSegment, pose: pyrosetta.rosetta.core.pose.Pose, start_atom_m1: pyrosetta.rosetta.core.kinematics.tree.Atom, start_atom: pyrosetta.rosetta.core.kinematics.tree.Atom, start_atom_p1: pyrosetta.rosetta.core.kinematics.tree.Atom) None ¶
get mainchain atom tree atoms 1 bond away from the start pivot
C++: protocols::backrub::BackrubSegment::start_atoms1(const class core::pose::Pose &, class std::shared_ptr<const class core::kinematics::tree::Atom> &, class std::shared_ptr<const class core::kinematics::tree::Atom> &, class std::shared_ptr<const class core::kinematics::tree::Atom> &) const –> void
- start_atoms2(self: pyrosetta.rosetta.protocols.backrub.BackrubSegment, pose: pyrosetta.rosetta.core.pose.Pose, start_atom_m2: pyrosetta.rosetta.core.kinematics.tree.Atom, start_atom_m1: pyrosetta.rosetta.core.kinematics.tree.Atom, start_atom: pyrosetta.rosetta.core.kinematics.tree.Atom, start_atom_p1: pyrosetta.rosetta.core.kinematics.tree.Atom, start_atom_p2: pyrosetta.rosetta.core.kinematics.tree.Atom) None ¶
get mainchain atom tree atoms 2 bonds away from the start pivot
C++: protocols::backrub::BackrubSegment::start_atoms2(const class core::pose::Pose &, class std::shared_ptr<const class core::kinematics::tree::Atom> &, class std::shared_ptr<const class core::kinematics::tree::Atom> &, class std::shared_ptr<const class core::kinematics::tree::Atom> &, class std::shared_ptr<const class core::kinematics::tree::Atom> &, class std::shared_ptr<const class core::kinematics::tree::Atom> &) const –> void
- class pyrosetta.rosetta.protocols.backrub.BackrubSidechainMover¶
Bases:
ThermodynamicMover
- apply(self: pyrosetta.rosetta.protocols.backrub.BackrubSidechainMover, pose: pyrosetta.rosetta.core.pose.Pose) None ¶
C++: protocols::backrub::BackrubSidechainMover::apply(class core::pose::Pose &) –> void
- assign(self: pyrosetta.rosetta.protocols.backrub.BackrubSidechainMover, : pyrosetta.rosetta.protocols.backrub.BackrubSidechainMover) pyrosetta.rosetta.protocols.backrub.BackrubSidechainMover ¶
C++: protocols::backrub::BackrubSidechainMover::operator=(const class protocols::backrub::BackrubSidechainMover &) –> class protocols::backrub::BackrubSidechainMover &
- 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 apply
C++: protocols::moves::Mover::clear_info() –> void
- clone(self: pyrosetta.rosetta.protocols.backrub.BackrubSidechainMover) pyrosetta.rosetta.protocols.moves.Mover ¶
C++: protocols::backrub::BackrubSidechainMover::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>
- finalize_simulation(self: pyrosetta.rosetta.protocols.backrub.BackrubSidechainMover, pose: pyrosetta.rosetta.core.pose.Pose, metropolis_hastings_mover: protocols::canonical_sampling::MetropolisHastingsMover) None ¶
C++: protocols::backrub::BackrubSidechainMover::finalize_simulation(class core::pose::Pose &, const class protocols::canonical_sampling::MetropolisHastingsMover &) –> void
- fresh_instance(self: pyrosetta.rosetta.protocols.backrub.BackrubSidechainMover) pyrosetta.rosetta.protocols.moves.Mover ¶
C++: protocols::backrub::BackrubSidechainMover::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.
Supported in JD2. Will attempt to grab additional poses until a nullptr is returned.
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.backrub.BackrubSidechainMover) str ¶
C++: protocols::backrub::BackrubSidechainMover::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_t ¶
non-const accessor
C++: protocols::moves::Mover::info() –> class std::list<std::string, class std::allocator<std::string > > &
- initialize_simulation(self: pyrosetta.rosetta.protocols.backrub.BackrubSidechainMover, pose: pyrosetta.rosetta.core.pose.Pose, metropolis_hastings_mover: protocols::canonical_sampling::MetropolisHastingsMover, cycle: int) None ¶
C++: protocols::backrub::BackrubSidechainMover::initialize_simulation(class core::pose::Pose &, const class protocols::canonical_sampling::MetropolisHastingsMover &, unsigned long) –> void
- is_multi_trial(self: pyrosetta.rosetta.protocols.canonical_sampling.ThermodynamicMover) bool ¶
Return true if the move performs multiple trials on each apply.
last_inner_score_delta_over_temperature()
metropolis_hastings_mover()
set_metropolis_hastings_mover()
C++: protocols::canonical_sampling::ThermodynamicMover::is_multi_trial() –> bool
- last_inner_score_delta_over_temperature(self: pyrosetta.rosetta.protocols.canonical_sampling.ThermodynamicMover) float ¶
- If this is a multi-trial move, return the change in internal
score/temperature caused by the last call to apply().
is_multi_trial()
C++: protocols::canonical_sampling::ThermodynamicMover::last_inner_score_delta_over_temperature() –> double
- last_proposal_density_ratio(self: pyrosetta.rosetta.protocols.canonical_sampling.ThermodynamicMover) float ¶
Return the proposal density ratio for last apply method.
C++: protocols::canonical_sampling::ThermodynamicMover::last_proposal_density_ratio() –> double
- metropolis_hastings_mover(self: pyrosetta.rosetta.protocols.canonical_sampling.ThermodynamicMover) pyrosetta.rosetta.std.weak_ptr_protocols_canonical_sampling_MetropolisHastingsMover_t ¶
- If this is a multi-trial move, return the MetropolisHastingsMover
being used internally.
is_multi_trial()
C++: protocols::canonical_sampling::ThermodynamicMover::metropolis_hastings_mover() –> class std::weak_ptr<class protocols::canonical_sampling::MetropolisHastingsMover>
- static mover_name() str ¶
C++: protocols::backrub::BackrubSidechainMover::mover_name() –> std::string
- static name() str ¶
C++: protocols::moves::Mover::name() –> std::string
- observe_after_metropolis(self: pyrosetta.rosetta.protocols.backrub.BackrubSidechainMover, metropolis_hastings_mover: protocols::canonical_sampling::MetropolisHastingsMover) None ¶
callback after the Metropolis criterion is evaluated
C++: protocols::backrub::BackrubSidechainMover::observe_after_metropolis(const class protocols::canonical_sampling::MetropolisHastingsMover &) –> void
- output_statistics(self: pyrosetta.rosetta.protocols.backrub.BackrubSidechainMover, out: pyrosetta.rosetta.std.ostream) None ¶
C++: protocols::backrub::BackrubSidechainMover::output_statistics(std::ostream &) –> void
- parse_my_tag(self: pyrosetta.rosetta.protocols.backrub.BackrubSidechainMover, tag: pyrosetta.rosetta.utility.tag.Tag, data: pyrosetta.rosetta.basic.datacache.DataMap) None ¶
C++: protocols::backrub::BackrubSidechainMover::parse_my_tag(class std::shared_ptr<const class utility::tag::Tag>, class basic::datacache::DataMap &) –> void
- preserve_detailed_balance(self: pyrosetta.rosetta.protocols.backrub.BackrubSidechainMover) bool ¶
get whether detailed balance is preserved
C++: protocols::backrub::BackrubSidechainMover::preserve_detailed_balance() const –> bool
- prob_random_pert_current(self: pyrosetta.rosetta.protocols.backrub.BackrubSidechainMover) float ¶
C++: protocols::backrub::BackrubSidechainMover::prob_random_pert_current() const –> double
- prob_uniform(self: pyrosetta.rosetta.protocols.backrub.BackrubSidechainMover) float ¶
get the probability of uniformly sampling chi angles
C++: protocols::backrub::BackrubSidechainMover::prob_uniform() const –> double
- prob_withinrot(self: pyrosetta.rosetta.protocols.backrub.BackrubSidechainMover) float ¶
get the probability of sampling within the same rotamer
C++: protocols::backrub::BackrubSidechainMover::prob_withinrot() const –> double
- provide_citation_info(self: pyrosetta.rosetta.protocols.moves.Mover, : pyrosetta.rosetta.basic.citation_manager.CitationCollectionList) None ¶
- Provide citations to the passed CitationCollectionList
Subclasses should add the info for themselves and any other classes they use.
The default implementation of this function does nothing. It may be overriden by movers wishing to provide citation information.
C++: protocols::moves::Mover::provide_citation_info(class basic::citation_manager::CitationCollectionList &) const –> void
- static provide_xml_schema(xsd: utility::tag::XMLSchemaDefinition) None ¶
C++: protocols::backrub::BackrubSidechainMover::provide_xml_schema(class utility::tag::XMLSchemaDefinition &) –> void
- record_statistics(self: pyrosetta.rosetta.protocols.backrub.BackrubSidechainMover) bool ¶
get whether to record mover statistics or not
C++: protocols::backrub::BackrubSidechainMover::record_statistics() const –> bool
- static 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
- require_mm_bend(self: pyrosetta.rosetta.protocols.backrub.BackrubSidechainMover) bool ¶
get whether to exit during initialize_simulation if the mm_bend term isn’t turned on
C++: protocols::backrub::BackrubSidechainMover::require_mm_bend() const –> bool
- reset_statistics(self: pyrosetta.rosetta.protocols.backrub.BackrubSidechainMover) None ¶
C++: protocols::backrub::BackrubSidechainMover::reset_statistics() –> void
- 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
- set_current_job(self: pyrosetta.rosetta.protocols.moves.Mover, job: protocols::jobdist::BasicJob) None ¶
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 std::string &) –> 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_metropolis_hastings_mover(self: pyrosetta.rosetta.protocols.canonical_sampling.ThermodynamicMover, metropolis_hastings_mover: pyrosetta.rosetta.std.weak_ptr_protocols_canonical_sampling_MetropolisHastingsMover_t) None ¶
- If this is a multi-trial move, set the MetropolisHastingsMover to
be used internally.
is_multi_trial()
C++: protocols::canonical_sampling::ThermodynamicMover::set_metropolis_hastings_mover(class std::weak_ptr<class protocols::canonical_sampling::MetropolisHastingsMover>) –> 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_pivot_residue_selector(self: pyrosetta.rosetta.protocols.backrub.BackrubSidechainMover, pivot_residues: pyrosetta.rosetta.core.select.residue_selector.ResidueSelector) None ¶
C++: protocols::backrub::BackrubSidechainMover::set_pivot_residue_selector(class std::shared_ptr<const class core::select::residue_selector::ResidueSelector>) –> void
- set_pivot_residues(self: pyrosetta.rosetta.protocols.backrub.BackrubSidechainMover, pivot_residues: pyrosetta.rosetta.utility.vector1_unsigned_long) None ¶
C++: protocols::backrub::BackrubSidechainMover::set_pivot_residues(const class utility::vector1<unsigned long, class std::allocator<unsigned long> > &) –> void
- set_preserve_detailed_balance(self: pyrosetta.rosetta.protocols.backrub.BackrubSidechainMover, preserve_detailed_balance: bool) None ¶
set whether detailed balance is preserved
C++: protocols::backrub::BackrubSidechainMover::set_preserve_detailed_balance(bool) –> void
- set_prob_random_pert_current(self: pyrosetta.rosetta.protocols.backrub.BackrubSidechainMover, prob_pert: float) None ¶
C++: protocols::backrub::BackrubSidechainMover::set_prob_random_pert_current(double) –> void
- set_prob_uniform(self: pyrosetta.rosetta.protocols.backrub.BackrubSidechainMover, prob_uniform: float) None ¶
set the probability of uniformly sampling chi angles
C++: protocols::backrub::BackrubSidechainMover::set_prob_uniform(double) –> void
- set_prob_withinrot(self: pyrosetta.rosetta.protocols.backrub.BackrubSidechainMover, prob_withinrot: float) None ¶
set the probability of sampling within the same rotamer
C++: protocols::backrub::BackrubSidechainMover::set_prob_withinrot(double) –> void
- set_record_statistics(self: pyrosetta.rosetta.protocols.backrub.BackrubSidechainMover, record_statistics: bool) None ¶
set whether to record mover statistics or not
C++: protocols::backrub::BackrubSidechainMover::set_record_statistics(bool) –> void
- set_require_mm_bend(self: pyrosetta.rosetta.protocols.backrub.BackrubSidechainMover, require_mm_bend: bool) None ¶
set whether to exit during initialize_simulation if the mm_bend term isn’t turned on
C++: protocols::backrub::BackrubSidechainMover::set_require_mm_bend(bool) –> void
- set_statistics_filename(self: pyrosetta.rosetta.protocols.backrub.BackrubSidechainMover, statistics_filename: str) None ¶
set filename for statistics output
C++: protocols::backrub::BackrubSidechainMover::set_statistics_filename(const std::string &) –> void
- set_task_factory(self: pyrosetta.rosetta.protocols.backrub.BackrubSidechainMover, task_factory: pyrosetta.rosetta.core.pack.task.TaskFactory) None ¶
C++: protocols::backrub::BackrubSidechainMover::set_task_factory(class std::shared_ptr<class core::pack::task::TaskFactory>) –> void
- set_type(self: pyrosetta.rosetta.protocols.moves.Mover, setting: str) None ¶
Set the ‘type’ string
C++: protocols::moves::Mover::set_type(const std::string &) –> 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(std::ostream &) const –> void
- statistics_filename(self: pyrosetta.rosetta.protocols.backrub.BackrubSidechainMover) str ¶
get filename for statistics output
C++: protocols::backrub::BackrubSidechainMover::statistics_filename() const –> const std::string &
- task_factory(self: pyrosetta.rosetta.protocols.backrub.BackrubSidechainMover) pyrosetta.rosetta.core.pack.task.TaskFactory ¶
C++: protocols::backrub::BackrubSidechainMover::task_factory() const –> class std::shared_ptr<const class core::pack::task::TaskFactory>
- 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_id_ranges(self: pyrosetta.rosetta.protocols.backrub.BackrubSidechainMover, pose: pyrosetta.rosetta.core.pose.Pose) pyrosetta.rosetta.utility.vector1_core_id_TorsionID_Range ¶
get the TorsionIDs perturbed by the mover during moves, along with their ranges
C++: protocols::backrub::BackrubSidechainMover::torsion_id_ranges(class core::pose::Pose &) –> class utility::vector1<class core::id::TorsionID_Range, class std::allocator<class core::id::TorsionID_Range> >
- type(*args, **kwargs)¶
Overloaded function.
type(self: pyrosetta.rosetta.protocols.moves.Mover, type_in: str) -> None
Set the ‘type’ string
C++: protocols::moves::Mover::type(const std::string &) –> void
type(self: pyrosetta.rosetta.protocols.moves.Mover) -> str
Get the set ‘type’ string
C++: protocols::moves::Mover::type() const –> const std::string &
- update_segments(self: pyrosetta.rosetta.protocols.backrub.BackrubSidechainMover, pose: pyrosetta.rosetta.core.pose.Pose) None ¶
C++: protocols::backrub::BackrubSidechainMover::update_segments(const class core::pose::Pose &) –> void
- class pyrosetta.rosetta.protocols.backrub.BackrubSidechainMoverCreator¶
Bases:
MoverCreator
- assign(self: pyrosetta.rosetta.protocols.backrub.BackrubSidechainMoverCreator, : pyrosetta.rosetta.protocols.backrub.BackrubSidechainMoverCreator) pyrosetta.rosetta.protocols.backrub.BackrubSidechainMoverCreator ¶
C++: protocols::backrub::BackrubSidechainMoverCreator::operator=(const class protocols::backrub::BackrubSidechainMoverCreator &) –> class protocols::backrub::BackrubSidechainMoverCreator &
- create_mover(self: pyrosetta.rosetta.protocols.backrub.BackrubSidechainMoverCreator) pyrosetta.rosetta.protocols.moves.Mover ¶
C++: protocols::backrub::BackrubSidechainMoverCreator::create_mover() const –> class std::shared_ptr<class protocols::moves::Mover>
- keyname(self: pyrosetta.rosetta.protocols.backrub.BackrubSidechainMoverCreator) str ¶
C++: protocols::backrub::BackrubSidechainMoverCreator::keyname() const –> std::string
- pyrosetta.rosetta.protocols.backrub.append_fold_tree_to_file(foldtree: pyrosetta.rosetta.core.kinematics.FoldTree, file_path: str) None ¶
C++: protocols::backrub::append_fold_tree_to_file(const class core::kinematics::FoldTree &, std::string) –> void
- pyrosetta.rosetta.protocols.backrub.backrub_rotation_angles(constants: pyrosetta.rosetta.utility.vector0_double, tau: float, bondange: float, torsion1: float, torsion2: float) None ¶
calculate internal coordinate values for any tau value
C++: protocols::backrub::backrub_rotation_angles(const class utility::vector0<double, class std::allocator<double> > &, const double, double &, double &, double &) –> void
- pyrosetta.rosetta.protocols.backrub.backrub_rotation_constants(*args, **kwargs)¶
Overloaded function.
backrub_rotation_constants(PM2_atom: pyrosetta.rosetta.core.kinematics.tree.Atom, PM1_atom: pyrosetta.rosetta.core.kinematics.tree.Atom, P_atom: pyrosetta.rosetta.core.kinematics.tree.Atom, PP1_atom: pyrosetta.rosetta.core.kinematics.tree.Atom, PP2_atom: pyrosetta.rosetta.core.kinematics.tree.Atom, REF_atom: pyrosetta.rosetta.core.kinematics.tree.Atom, constants: pyrosetta.rosetta.utility.vector0_double) -> None
backrub_rotation_constants(PM2_atom: pyrosetta.rosetta.core.kinematics.tree.Atom, PM1_atom: pyrosetta.rosetta.core.kinematics.tree.Atom, P_atom: pyrosetta.rosetta.core.kinematics.tree.Atom, PP1_atom: pyrosetta.rosetta.core.kinematics.tree.Atom, PP2_atom: pyrosetta.rosetta.core.kinematics.tree.Atom, REF_atom: pyrosetta.rosetta.core.kinematics.tree.Atom, constants: pyrosetta.rosetta.utility.vector0_double, alpha_min: float) -> None
backrub_rotation_constants(PM2_atom: pyrosetta.rosetta.core.kinematics.tree.Atom, PM1_atom: pyrosetta.rosetta.core.kinematics.tree.Atom, P_atom: pyrosetta.rosetta.core.kinematics.tree.Atom, PP1_atom: pyrosetta.rosetta.core.kinematics.tree.Atom, PP2_atom: pyrosetta.rosetta.core.kinematics.tree.Atom, REF_atom: pyrosetta.rosetta.core.kinematics.tree.Atom, constants: pyrosetta.rosetta.utility.vector0_double, alpha_min: float, alpha_max: float) -> None
backrub_rotation_constants(PM2_atom: pyrosetta.rosetta.core.kinematics.tree.Atom, PM1_atom: pyrosetta.rosetta.core.kinematics.tree.Atom, P_atom: pyrosetta.rosetta.core.kinematics.tree.Atom, PP1_atom: pyrosetta.rosetta.core.kinematics.tree.Atom, PP2_atom: pyrosetta.rosetta.core.kinematics.tree.Atom, REF_atom: pyrosetta.rosetta.core.kinematics.tree.Atom, constants: pyrosetta.rosetta.utility.vector0_double, alpha_min: float, alpha_max: float, tau_intervals: pyrosetta.rosetta.numeric.IntervalSet_double_t) -> None
calculate constants necessary for calculating internal angles/derivatives
C++: protocols::backrub::backrub_rotation_constants(class std::shared_ptr<const class core::kinematics::tree::Atom>, class std::shared_ptr<const class core::kinematics::tree::Atom>, class std::shared_ptr<const class core::kinematics::tree::Atom>, class std::shared_ptr<const class core::kinematics::tree::Atom>, class std::shared_ptr<const class core::kinematics::tree::Atom>, class std::shared_ptr<const class core::kinematics::tree::Atom>, class utility::vector0<double, class std::allocator<double> > &, const double, const double, class numeric::IntervalSet<double> *) –> void
- pyrosetta.rosetta.protocols.backrub.get_pivot_residues_from_movemap(movemap: pyrosetta.rosetta.core.kinematics.MoveMap) pyrosetta.rosetta.utility.vector1_unsigned_long ¶
C++: protocols::backrub::get_pivot_residues_from_movemap(class std::shared_ptr<const class core::kinematics::MoveMap>) –> class utility::vector1<unsigned long, class std::allocator<unsigned long> >
- pyrosetta.rosetta.protocols.backrub.positions_incompatible_with_task(pose: pyrosetta.rosetta.core.pose.Pose, packertask: pyrosetta.rosetta.core.pack.task.PackerTask) pyrosetta.rosetta.utility.vector1_unsigned_long ¶
C++: protocols::backrub::positions_incompatible_with_task(class core::pose::Pose &, class core::pack::task::PackerTask &) –> class utility::vector1<unsigned long, class std::allocator<unsigned long> >
- pyrosetta.rosetta.protocols.backrub.read_fold_tree_from_file(*args, **kwargs)¶
Overloaded function.
read_fold_tree_from_file(foldtree: pyrosetta.rosetta.core.kinematics.FoldTree, filepath: str) -> bool
C++: protocols::backrub::read_fold_tree_from_file(class core::kinematics::FoldTree &, const std::string &) –> bool
read_fold_tree_from_file(pose: pyrosetta.rosetta.core.pose.Pose, filepath: str) -> bool
C++: protocols::backrub::read_fold_tree_from_file(class core::pose::Pose &, const std::string &) –> bool