design_opt¶
Bindings for protocols::design_opt namespace
- class pyrosetta.rosetta.protocols.design_opt.GreedyOptMutationMover¶
Bases:
Mover
- add_filter(self: pyrosetta.rosetta.protocols.design_opt.GreedyOptMutationMover, : pyrosetta.rosetta.protocols.filters.Filter, sample_type: str, filter_delta: float) None ¶
C++: protocols::design_opt::GreedyOptMutationMover::add_filter(class std::shared_ptr<class protocols::filters::Filter>, const std::string, double) –> void
- apply(self: pyrosetta.rosetta.protocols.design_opt.GreedyOptMutationMover, pose: pyrosetta.rosetta.core.pose.Pose) None ¶
C++: protocols::design_opt::GreedyOptMutationMover::apply(class core::pose::Pose &) –> void
- assign(self: pyrosetta.rosetta.protocols.design_opt.GreedyOptMutationMover, : pyrosetta.rosetta.protocols.design_opt.GreedyOptMutationMover) pyrosetta.rosetta.protocols.design_opt.GreedyOptMutationMover ¶
C++: protocols::design_opt::GreedyOptMutationMover::operator=(const class protocols::design_opt::GreedyOptMutationMover &) –> class protocols::design_opt::GreedyOptMutationMover &
- calc_pfront_poses_filter_ranks(self: pyrosetta.rosetta.protocols.design_opt.GreedyOptMutationMover) None ¶
C++: protocols::design_opt::GreedyOptMutationMover::calc_pfront_poses_filter_ranks() –> void
- clear_cached_data(self: pyrosetta.rosetta.protocols.design_opt.GreedyOptMutationMover) None ¶
C++: protocols::design_opt::GreedyOptMutationMover::clear_cached_data() –> void
- 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.design_opt.GreedyOptMutationMover) pyrosetta.rosetta.protocols.moves.Mover ¶
C++: protocols::design_opt::GreedyOptMutationMover::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>
- delta_filters(*args, **kwargs)¶
Overloaded function.
delta_filters(self: pyrosetta.rosetta.protocols.design_opt.GreedyOptMutationMover) -> pyrosetta.rosetta.utility.vector1_std_shared_ptr_protocols_simple_filters_DeltaFilter_t
C++: protocols::design_opt::GreedyOptMutationMover::delta_filters() const –> class utility::vector1<class std::shared_ptr<class protocols::simple_filters::DeltaFilter>, class std::allocator<class std::shared_ptr<class protocols::simple_filters::DeltaFilter> > >
delta_filters(self: pyrosetta.rosetta.protocols.design_opt.GreedyOptMutationMover, d: pyrosetta.rosetta.utility.vector1_std_shared_ptr_protocols_simple_filters_DeltaFilter_t) -> None
C++: protocols::design_opt::GreedyOptMutationMover::delta_filters(const class utility::vector1<class std::shared_ptr<class protocols::simple_filters::DeltaFilter>, class std::allocator<class std::shared_ptr<class protocols::simple_filters::DeltaFilter> > >) –> void
- diversify(*args, **kwargs)¶
Overloaded function.
diversify(self: pyrosetta.rosetta.protocols.design_opt.GreedyOptMutationMover) -> bool
C++: protocols::design_opt::GreedyOptMutationMover::diversify() const –> bool
diversify(self: pyrosetta.rosetta.protocols.design_opt.GreedyOptMutationMover, b: bool) -> None
C++: protocols::design_opt::GreedyOptMutationMover::diversify(const bool) –> void
- downsample_pfront_poses(self: pyrosetta.rosetta.protocols.design_opt.GreedyOptMutationMover) None ¶
C++: protocols::design_opt::GreedyOptMutationMover::downsample_pfront_poses() –> void
- dump_pdb(*args, **kwargs)¶
Overloaded function.
dump_pdb(self: pyrosetta.rosetta.protocols.design_opt.GreedyOptMutationMover) -> bool
C++: protocols::design_opt::GreedyOptMutationMover::dump_pdb() const –> bool
dump_pdb(self: pyrosetta.rosetta.protocols.design_opt.GreedyOptMutationMover, dump_pdb: bool) -> None
C++: protocols::design_opt::GreedyOptMutationMover::dump_pdb(const bool) –> void
- dump_scoring_table(self: pyrosetta.rosetta.protocols.design_opt.GreedyOptMutationMover, filename: str, ref_pose: pyrosetta.rosetta.core.pose.Pose) None ¶
C++: protocols::design_opt::GreedyOptMutationMover::dump_scoring_table(std::string, const class core::pose::Pose &) const –> void
- dump_table(*args, **kwargs)¶
Overloaded function.
dump_table(self: pyrosetta.rosetta.protocols.design_opt.GreedyOptMutationMover) -> bool
C++: protocols::design_opt::GreedyOptMutationMover::dump_table() const –> bool
dump_table(self: pyrosetta.rosetta.protocols.design_opt.GreedyOptMutationMover, dump_table: bool) -> None
C++: protocols::design_opt::GreedyOptMutationMover::dump_table(const bool) –> void
- filter_deltas(*args, **kwargs)¶
Overloaded function.
filter_deltas(self: pyrosetta.rosetta.protocols.design_opt.GreedyOptMutationMover) -> pyrosetta.rosetta.utility.vector1_double
C++: protocols::design_opt::GreedyOptMutationMover::filter_deltas() const –> class utility::vector1<double, class std::allocator<double> >
filter_deltas(self: pyrosetta.rosetta.protocols.design_opt.GreedyOptMutationMover, filter_deltas: pyrosetta.rosetta.utility.vector1_double) -> None
C++: protocols::design_opt::GreedyOptMutationMover::filter_deltas(const class utility::vector1<double, class std::allocator<double> >) –> void
- filter_pareto_opt_poses(self: pyrosetta.rosetta.protocols.design_opt.GreedyOptMutationMover) None ¶
C++: protocols::design_opt::GreedyOptMutationMover::filter_pareto_opt_poses() –> void
- filter_seqpos_pareto_opt_ptmuts(self: pyrosetta.rosetta.protocols.design_opt.GreedyOptMutationMover) None ¶
C++: protocols::design_opt::GreedyOptMutationMover::filter_seqpos_pareto_opt_ptmuts() –> void
- filters(*args, **kwargs)¶
Overloaded function.
filters(self: pyrosetta.rosetta.protocols.design_opt.GreedyOptMutationMover) -> pyrosetta.rosetta.utility.vector1_std_shared_ptr_protocols_filters_Filter_t
C++: protocols::design_opt::GreedyOptMutationMover::filters() const –> class utility::vector1<class std::shared_ptr<class protocols::filters::Filter>, class std::allocator<class std::shared_ptr<class protocols::filters::Filter> > >
filters(self: pyrosetta.rosetta.protocols.design_opt.GreedyOptMutationMover, filters: pyrosetta.rosetta.utility.vector1_std_shared_ptr_protocols_filters_Filter_t) -> None
C++: protocols::design_opt::GreedyOptMutationMover::filters(class utility::vector1<class std::shared_ptr<class protocols::filters::Filter>, class std::allocator<class std::shared_ptr<class protocols::filters::Filter> > >) –> void
- fresh_instance(self: pyrosetta.rosetta.protocols.design_opt.GreedyOptMutationMover) pyrosetta.rosetta.protocols.moves.Mover ¶
C++: protocols::design_opt::GreedyOptMutationMover::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.design_opt.GreedyOptMutationMover) str ¶
C++: protocols::design_opt::GreedyOptMutationMover::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
- incl_nonopt(*args, **kwargs)¶
Overloaded function.
incl_nonopt(self: pyrosetta.rosetta.protocols.design_opt.GreedyOptMutationMover) -> bool
C++: protocols::design_opt::GreedyOptMutationMover::incl_nonopt() const –> bool
incl_nonopt(self: pyrosetta.rosetta.protocols.design_opt.GreedyOptMutationMover, b: bool) -> None
C++: protocols::design_opt::GreedyOptMutationMover::incl_nonopt(const bool) –> void
- 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::design_opt::GreedyOptMutationMover::mover_name() –> std::string
- static name() str ¶
C++: protocols::moves::Mover::name() –> std::string
- parallel(*args, **kwargs)¶
Overloaded function.
parallel(self: pyrosetta.rosetta.protocols.design_opt.GreedyOptMutationMover) -> bool
C++: protocols::design_opt::GreedyOptMutationMover::parallel() const –> bool
parallel(self: pyrosetta.rosetta.protocols.design_opt.GreedyOptMutationMover, parallel: bool) -> None
C++: protocols::design_opt::GreedyOptMutationMover::parallel(const bool) –> void
- parse_my_tag(self: pyrosetta.rosetta.protocols.design_opt.GreedyOptMutationMover, tag: pyrosetta.rosetta.utility.tag.Tag, : pyrosetta.rosetta.basic.datacache.DataMap) None ¶
C++: protocols::design_opt::GreedyOptMutationMover::parse_my_tag(class std::shared_ptr<const class utility::tag::Tag>, class basic::datacache::DataMap &) –> void
- pose_coords_are_same(self: pyrosetta.rosetta.protocols.design_opt.GreedyOptMutationMover, pose1: pyrosetta.rosetta.core.pose.Pose, pose2: pyrosetta.rosetta.core.pose.Pose) bool ¶
C++: protocols::design_opt::GreedyOptMutationMover::pose_coords_are_same(const class core::pose::Pose &, const class core::pose::Pose &) –> 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::design_opt::GreedyOptMutationMover::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
- relax_mover(*args, **kwargs)¶
Overloaded function.
relax_mover(self: pyrosetta.rosetta.protocols.design_opt.GreedyOptMutationMover) -> pyrosetta.rosetta.protocols.moves.Mover
C++: protocols::design_opt::GreedyOptMutationMover::relax_mover() const –> class std::shared_ptr<class protocols::moves::Mover>
relax_mover(self: pyrosetta.rosetta.protocols.design_opt.GreedyOptMutationMover, relax_mover: pyrosetta.rosetta.protocols.moves.Mover) -> None
C++: protocols::design_opt::GreedyOptMutationMover::relax_mover(class std::shared_ptr<class protocols::moves::Mover>) –> 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
- static root_node_for_greedy_opt(attlist1: pyrosetta.rosetta.std.list_utility_tag_XMLSchemaAttribute_t, xsd: utility::tag::XMLSchemaDefinition) utility::tag::XMLSchemaRepeatableCTNode ¶
C++: protocols::design_opt::GreedyOptMutationMover::root_node_for_greedy_opt(class std::list<class utility::tag::XMLSchemaAttribute, class std::allocator<class utility::tag::XMLSchemaAttribute> > &, class utility::tag::XMLSchemaDefinition &) –> class std::shared_ptr<class utility::tag::XMLSchemaRepeatableCTNode>
- rtmin(*args, **kwargs)¶
Overloaded function.
rtmin(self: pyrosetta.rosetta.protocols.design_opt.GreedyOptMutationMover) -> bool
C++: protocols::design_opt::GreedyOptMutationMover::rtmin() const –> bool
rtmin(self: pyrosetta.rosetta.protocols.design_opt.GreedyOptMutationMover, b: bool) -> None
C++: protocols::design_opt::GreedyOptMutationMover::rtmin(const bool) –> void
- sample_types(*args, **kwargs)¶
Overloaded function.
sample_types(self: pyrosetta.rosetta.protocols.design_opt.GreedyOptMutationMover) -> pyrosetta.rosetta.utility.vector1_std_string
C++: protocols::design_opt::GreedyOptMutationMover::sample_types() const –> class utility::vector1<std::string, class std::allocator<std::string > >
sample_types(self: pyrosetta.rosetta.protocols.design_opt.GreedyOptMutationMover, sample_types: pyrosetta.rosetta.utility.vector1_std_string) -> None
C++: protocols::design_opt::GreedyOptMutationMover::sample_types(const class utility::vector1<std::string, class std::allocator<std::string > >) –> void
- scorefxn(*args, **kwargs)¶
Overloaded function.
scorefxn(self: pyrosetta.rosetta.protocols.design_opt.GreedyOptMutationMover) -> pyrosetta.rosetta.core.scoring.ScoreFunction
C++: protocols::design_opt::GreedyOptMutationMover::scorefxn() const –> class std::shared_ptr<class core::scoring::ScoreFunction>
scorefxn(self: pyrosetta.rosetta.protocols.design_opt.GreedyOptMutationMover, scorefxn: pyrosetta.rosetta.core.scoring.ScoreFunction) -> None
C++: protocols::design_opt::GreedyOptMutationMover::scorefxn(class std::shared_ptr<class core::scoring::ScoreFunction>) –> 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_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 ¶
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
- shuffle_order(*args, **kwargs)¶
Overloaded function.
shuffle_order(self: pyrosetta.rosetta.protocols.design_opt.GreedyOptMutationMover) -> bool
C++: protocols::design_opt::GreedyOptMutationMover::shuffle_order() const –> bool
shuffle_order(self: pyrosetta.rosetta.protocols.design_opt.GreedyOptMutationMover, b: bool) -> None
C++: protocols::design_opt::GreedyOptMutationMover::shuffle_order(const bool) –> void
- skip_best_check(*args, **kwargs)¶
Overloaded function.
skip_best_check(self: pyrosetta.rosetta.protocols.design_opt.GreedyOptMutationMover) -> bool
C++: protocols::design_opt::GreedyOptMutationMover::skip_best_check() const –> bool
skip_best_check(self: pyrosetta.rosetta.protocols.design_opt.GreedyOptMutationMover, skip_best_check: bool) -> None
C++: protocols::design_opt::GreedyOptMutationMover::skip_best_check(const bool) –> void
- stop_before_condition(*args, **kwargs)¶
Overloaded function.
stop_before_condition(self: pyrosetta.rosetta.protocols.design_opt.GreedyOptMutationMover) -> bool
C++: protocols::design_opt::GreedyOptMutationMover::stop_before_condition() const –> bool
stop_before_condition(self: pyrosetta.rosetta.protocols.design_opt.GreedyOptMutationMover, stop_before_condition: bool) -> None
C++: protocols::design_opt::GreedyOptMutationMover::stop_before_condition(const bool) –> void
- stopping_condition(*args, **kwargs)¶
Overloaded function.
stopping_condition(self: pyrosetta.rosetta.protocols.design_opt.GreedyOptMutationMover, f: pyrosetta.rosetta.protocols.filters.Filter) -> None
C++: protocols::design_opt::GreedyOptMutationMover::stopping_condition(class std::shared_ptr<class protocols::filters::Filter>) –> void
stopping_condition(self: pyrosetta.rosetta.protocols.design_opt.GreedyOptMutationMover) -> pyrosetta.rosetta.protocols.filters.Filter
C++: protocols::design_opt::GreedyOptMutationMover::stopping_condition() const –> class std::shared_ptr<class protocols::filters::Filter>
- static subelement_ct_namer(tag_name: str) str ¶
C++: protocols::design_opt::GreedyOptMutationMover::subelement_ct_namer(std::string) –> std::string
- static subsubelement_ct_namer(tag_name: str) str ¶
C++: protocols::design_opt::GreedyOptMutationMover::subsubelement_ct_namer(std::string) –> std::string
- task_factory(*args, **kwargs)¶
Overloaded function.
task_factory(self: pyrosetta.rosetta.protocols.design_opt.GreedyOptMutationMover) -> pyrosetta.rosetta.core.pack.task.TaskFactory
C++: protocols::design_opt::GreedyOptMutationMover::task_factory() const –> class std::shared_ptr<class core::pack::task::TaskFactory>
task_factory(self: pyrosetta.rosetta.protocols.design_opt.GreedyOptMutationMover, task_factory: pyrosetta.rosetta.core.pack.task.TaskFactory) -> None
C++: protocols::design_opt::GreedyOptMutationMover::task_factory(class std::shared_ptr<class core::pack::task::TaskFactory>) –> 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 &
- class pyrosetta.rosetta.protocols.design_opt.GreedyOptMutationMoverCreator¶
Bases:
MoverCreator
- assign(self: pyrosetta.rosetta.protocols.design_opt.GreedyOptMutationMoverCreator, : pyrosetta.rosetta.protocols.design_opt.GreedyOptMutationMoverCreator) pyrosetta.rosetta.protocols.design_opt.GreedyOptMutationMoverCreator ¶
C++: protocols::design_opt::GreedyOptMutationMoverCreator::operator=(const class protocols::design_opt::GreedyOptMutationMoverCreator &) –> class protocols::design_opt::GreedyOptMutationMoverCreator &
- create_mover(self: pyrosetta.rosetta.protocols.design_opt.GreedyOptMutationMoverCreator) pyrosetta.rosetta.protocols.moves.Mover ¶
C++: protocols::design_opt::GreedyOptMutationMoverCreator::create_mover() const –> class std::shared_ptr<class protocols::moves::Mover>
- keyname(self: pyrosetta.rosetta.protocols.design_opt.GreedyOptMutationMoverCreator) str ¶
C++: protocols::design_opt::GreedyOptMutationMoverCreator::keyname() const –> std::string
- class pyrosetta.rosetta.protocols.design_opt.PointMutationCalculator¶
Bases:
pybind11_object
- assign(self: pyrosetta.rosetta.protocols.design_opt.PointMutationCalculator, : pyrosetta.rosetta.protocols.design_opt.PointMutationCalculator) pyrosetta.rosetta.protocols.design_opt.PointMutationCalculator ¶
C++: protocols::design_opt::PointMutationCalculator::operator=(const class protocols::design_opt::PointMutationCalculator &) –> class protocols::design_opt::PointMutationCalculator &
- calc_point_mut_filters(self: pyrosetta.rosetta.protocols.design_opt.PointMutationCalculator, start_pose: pyrosetta.rosetta.core.pose.Pose, seqpos_aa_vals_vec: pyrosetta.rosetta.utility.vector1_std_pair_unsigned_long_utility_vector1_std_pair_core_chemical_AA_utility_vector1_double_std_allocator_double_std_allocator_std_pair_core_chemical_AA_utility_vector1_double_std_allocator_double_t) None ¶
C++: protocols::design_opt::PointMutationCalculator::calc_point_mut_filters(const class core::pose::Pose &, class utility::vector1<struct std::pair<unsigned long, class utility::vector1<struct std::pair<enum core::chemical::AA, class utility::vector1<double, class std::allocator<double> > >, class std::allocator<struct std::pair<enum core::chemical::AA, class utility::vector1<double, class std::allocator<double> > > > > >, class std::allocator<struct std::pair<unsigned long, class utility::vector1<struct std::pair<enum core::chemical::AA, class utility::vector1<double, class std::allocator<double> > >, class std::allocator<struct std::pair<enum core::chemical::AA, class utility::vector1<double, class std::allocator<double> > > > > > > > &) –> void
- clone(self: pyrosetta.rosetta.protocols.design_opt.PointMutationCalculator) pyrosetta.rosetta.protocols.design_opt.PointMutationCalculator ¶
C++: protocols::design_opt::PointMutationCalculator::clone() const –> class std::shared_ptr<class protocols::design_opt::PointMutationCalculator>
- dump_pdb(*args, **kwargs)¶
Overloaded function.
dump_pdb(self: pyrosetta.rosetta.protocols.design_opt.PointMutationCalculator) -> bool
C++: protocols::design_opt::PointMutationCalculator::dump_pdb() const –> bool
dump_pdb(self: pyrosetta.rosetta.protocols.design_opt.PointMutationCalculator, dump_pdb: bool) -> None
C++: protocols::design_opt::PointMutationCalculator::dump_pdb(const bool) –> void
- eval_filters(self: pyrosetta.rosetta.protocols.design_opt.PointMutationCalculator, pose: pyrosetta.rosetta.core.pose.Pose, filter_pass: bool, vals: pyrosetta.rosetta.utility.vector1_double) None ¶
C++: protocols::design_opt::PointMutationCalculator::eval_filters(class core::pose::Pose &, bool &, class utility::vector1<double, class std::allocator<double> > &) –> void
- filters(*args, **kwargs)¶
Overloaded function.
filters(self: pyrosetta.rosetta.protocols.design_opt.PointMutationCalculator) -> pyrosetta.rosetta.utility.vector1_std_shared_ptr_protocols_filters_Filter_t
C++: protocols::design_opt::PointMutationCalculator::filters() const –> class utility::vector1<class std::shared_ptr<class protocols::filters::Filter>, class std::allocator<class std::shared_ptr<class protocols::filters::Filter> > >
filters(self: pyrosetta.rosetta.protocols.design_opt.PointMutationCalculator, filters: pyrosetta.rosetta.utility.vector1_std_shared_ptr_protocols_filters_Filter_t) -> None
C++: protocols::design_opt::PointMutationCalculator::filters(class utility::vector1<class std::shared_ptr<class protocols::filters::Filter>, class std::allocator<class std::shared_ptr<class protocols::filters::Filter> > >) –> void
- mutate_and_relax(*args, **kwargs)¶
Overloaded function.
mutate_and_relax(self: pyrosetta.rosetta.protocols.design_opt.PointMutationCalculator, pose: pyrosetta.rosetta.core.pose.Pose, resi: int, target_aa: pyrosetta.rosetta.core.chemical.AA) -> None
C++: protocols::design_opt::PointMutationCalculator::mutate_and_relax(class core::pose::Pose &, const unsigned long &, const enum core::chemical::AA &) –> void
mutate_and_relax(self: pyrosetta.rosetta.protocols.design_opt.PointMutationCalculator, pose: pyrosetta.rosetta.core.pose.Pose, resi: int, target_aa: pyrosetta.rosetta.core.chemical.AA, green_packer: protocols::minimization_packing::GreenPacker) -> None
C++: protocols::design_opt::PointMutationCalculator::mutate_and_relax(class core::pose::Pose &, const unsigned long &, const enum core::chemical::AA &, class std::shared_ptr<class protocols::minimization_packing::GreenPacker>) –> void
- parallel(*args, **kwargs)¶
Overloaded function.
parallel(self: pyrosetta.rosetta.protocols.design_opt.PointMutationCalculator, r: bool) -> None
C++: protocols::design_opt::PointMutationCalculator::parallel(const bool) –> void
parallel(self: pyrosetta.rosetta.protocols.design_opt.PointMutationCalculator) -> bool
C++: protocols::design_opt::PointMutationCalculator::parallel() const –> bool
- relax_mover(*args, **kwargs)¶
Overloaded function.
relax_mover(self: pyrosetta.rosetta.protocols.design_opt.PointMutationCalculator) -> pyrosetta.rosetta.protocols.moves.Mover
C++: protocols::design_opt::PointMutationCalculator::relax_mover() const –> class std::shared_ptr<class protocols::moves::Mover>
relax_mover(self: pyrosetta.rosetta.protocols.design_opt.PointMutationCalculator, relax_mover: pyrosetta.rosetta.protocols.moves.Mover) -> None
C++: protocols::design_opt::PointMutationCalculator::relax_mover(class std::shared_ptr<class protocols::moves::Mover>) –> void
- rtmin(*args, **kwargs)¶
Overloaded function.
rtmin(self: pyrosetta.rosetta.protocols.design_opt.PointMutationCalculator, r: bool) -> None
C++: protocols::design_opt::PointMutationCalculator::rtmin(const bool) –> void
rtmin(self: pyrosetta.rosetta.protocols.design_opt.PointMutationCalculator) -> bool
C++: protocols::design_opt::PointMutationCalculator::rtmin() const –> bool
- sample_types(*args, **kwargs)¶
Overloaded function.
sample_types(self: pyrosetta.rosetta.protocols.design_opt.PointMutationCalculator) -> pyrosetta.rosetta.utility.vector1_std_string
C++: protocols::design_opt::PointMutationCalculator::sample_types() const –> class utility::vector1<std::string, class std::allocator<std::string > >
sample_types(self: pyrosetta.rosetta.protocols.design_opt.PointMutationCalculator, sample_types: pyrosetta.rosetta.utility.vector1_std_string) -> None
C++: protocols::design_opt::PointMutationCalculator::sample_types(const class utility::vector1<std::string, class std::allocator<std::string > > &) –> void
- scorefxn(*args, **kwargs)¶
Overloaded function.
scorefxn(self: pyrosetta.rosetta.protocols.design_opt.PointMutationCalculator) -> pyrosetta.rosetta.core.scoring.ScoreFunction
C++: protocols::design_opt::PointMutationCalculator::scorefxn() const –> class std::shared_ptr<class core::scoring::ScoreFunction>
scorefxn(self: pyrosetta.rosetta.protocols.design_opt.PointMutationCalculator, scorefxn: pyrosetta.rosetta.core.scoring.ScoreFunction) -> None
C++: protocols::design_opt::PointMutationCalculator::scorefxn(class std::shared_ptr<class core::scoring::ScoreFunction>) –> void
- set_design_shell(self: pyrosetta.rosetta.protocols.design_opt.PointMutationCalculator, dz_shell: float) None ¶
C++: protocols::design_opt::PointMutationCalculator::set_design_shell(double) –> void
- set_repack_shell(self: pyrosetta.rosetta.protocols.design_opt.PointMutationCalculator, rp_shell: float) None ¶
C++: protocols::design_opt::PointMutationCalculator::set_repack_shell(double) –> void
- task_factory(*args, **kwargs)¶
Overloaded function.
task_factory(self: pyrosetta.rosetta.protocols.design_opt.PointMutationCalculator) -> pyrosetta.rosetta.core.pack.task.TaskFactory
C++: protocols::design_opt::PointMutationCalculator::task_factory() const –> class std::shared_ptr<class core::pack::task::TaskFactory>
task_factory(self: pyrosetta.rosetta.protocols.design_opt.PointMutationCalculator, task_factory: pyrosetta.rosetta.core.pack.task.TaskFactory) -> None
C++: protocols::design_opt::PointMutationCalculator::task_factory(class std::shared_ptr<class core::pack::task::TaskFactory>) –> void
- class pyrosetta.rosetta.protocols.design_opt.Supercharge¶
Bases:
Mover
Adds charged residues to a protein surface
There are two modes for supercharging. The first is called AvNAPSA developed by the David Liu lab at Harvard. In this approach, surface residues are defined by the Average # Neighbor Atoms Per Sidechain Atom (AvNAPSA value), with a cutoff of 150. I think 100 is a safer cutoff. Arg, Lys, Asp, Glu, Asn, Gln are the only residues allowed to mutated. Lys is always chosen for positive, Glu is always chosen for negative, unless the native is Asn, then Asp is chosen. Thus, the sequence is deterministic. If one desires a particular net charge, the residues would be sorted from low to high AvNAPSA value and mutated one at a time until the target charge is achieved - this ignores the ceiling of 150 or 100. The second approach uses the Rosetta score function to guide the surface mutagenesis. The user must specifiy if Arg, Lys, or Asp, Glu are desired, and what the reference weights are. Alternatively, the user can specify a target net charge, and the reference weights of the charged residues will be incremented/decremented until the net charge is reached.
AvNAPSA-mode, target charge 1. Define surface. sort NQ and RK/DE residues by AvNAPSA value (low to high) 2. Next residue in sorted list: Positive: mutate DENQ–>K, Negative: mutate RKQ–>E and N–>D 3. If net charge = target net charge, output pdb
AvNAPSA-mode, no target charge 1. Define surface by AvNAPSA value (<100 default) 2. For each NQ and DE/RK residue in the surface: Positive: mutate DENQ–>K, Negative: mutate RKQ–>E and N–>D 3. Output pdb
Rosetta-mode, target charge 1. Define surface. Neighbor by distance calculator (CB dist.), <16 neighbors default
or Define surface by AvNAPSA value (<100 default)
Set design task read user resfile, if provided dont_mutate gly, pro, cys dont_mutate h-bonded sidechains dont_mutate correct charge residues
Set reference energies for RK/DE, starting at user input values
pack rotamers mover
check net charge, increment/decrement reference energies (back to step 3.)
Once a pack rotamers run results in the correct net charge, output pdb
Rosetta-mode, no target charge 1. Define surface. Neighbor by distance calculator (CB dist.), <16 neighbors default
or Define surface by AvNAPSA value (<100 default)
Set design task read user resfile, if provided dont_mutate gly, pro, cys dont_mutate h-bonded sidechains dont_mutate correct charge residues
Set reference energies for RK/DE, using the user input values
pack rotamers mover
Output pdb
Note: either mode will read a user input resfile, but be sure to use ALLAA as the default, because NATAA default will make the surface residues undesignable. Either mode will make a second resfile with NATAA as default.
CAUTION: Supercharge does it’s own output.
- AvNAPSA_negative(self: pyrosetta.rosetta.protocols.design_opt.Supercharge, s: bool) None ¶
C++: protocols::design_opt::Supercharge::AvNAPSA_negative(bool) –> void
- AvNAPSA_positive(self: pyrosetta.rosetta.protocols.design_opt.Supercharge, s: bool) None ¶
C++: protocols::design_opt::Supercharge::AvNAPSA_positive(bool) –> void
- AvNAPSA_values(self: pyrosetta.rosetta.protocols.design_opt.Supercharge, pose: pyrosetta.rosetta.core.pose.Pose) None ¶
average number of neighboring atoms per sidechain atom
C++: protocols::design_opt::Supercharge::AvNAPSA_values(const class core::pose::Pose &) –> void
- apply(self: pyrosetta.rosetta.protocols.design_opt.Supercharge, pose: pyrosetta.rosetta.core.pose.Pose) None ¶
C++: protocols::design_opt::Supercharge::apply(class core::pose::Pose &) –> void
- assign(self: pyrosetta.rosetta.protocols.design_opt.Supercharge, : pyrosetta.rosetta.protocols.design_opt.Supercharge) pyrosetta.rosetta.protocols.design_opt.Supercharge ¶
C++: protocols::design_opt::Supercharge::operator=(const class protocols::design_opt::Supercharge &) –> class protocols::design_opt::Supercharge &
- 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.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>
- compare_residue_energies_all(self: pyrosetta.rosetta.protocols.design_opt.Supercharge, s: bool) None ¶
C++: protocols::design_opt::Supercharge::compare_residue_energies_all(bool) –> void
- compare_residue_energies_mut(self: pyrosetta.rosetta.protocols.design_opt.Supercharge, s: bool) None ¶
C++: protocols::design_opt::Supercharge::compare_residue_energies_mut(bool) –> void
- 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>
- design_supercharge(self: pyrosetta.rosetta.protocols.design_opt.Supercharge, starting_pose: pyrosetta.rosetta.core.pose.Pose, pose: pyrosetta.rosetta.core.pose.Pose) None ¶
C++: protocols::design_opt::Supercharge::design_supercharge(const class core::pose::Pose &, class core::pose::Pose &) –> void
- design_supercharge_AvNAPSA(self: pyrosetta.rosetta.protocols.design_opt.Supercharge, starting_pose: pyrosetta.rosetta.core.pose.Pose, pose: pyrosetta.rosetta.core.pose.Pose) None ¶
C++: protocols::design_opt::Supercharge::design_supercharge_AvNAPSA(const class core::pose::Pose &, class core::pose::Pose &) –> void
- dont_mutate_correct_charge(self: pyrosetta.rosetta.protocols.design_opt.Supercharge, s: bool) None ¶
C++: protocols::design_opt::Supercharge::dont_mutate_correct_charge(bool) –> void
- dont_mutate_glyprocys(self: pyrosetta.rosetta.protocols.design_opt.Supercharge, s: bool) None ¶
C++: protocols::design_opt::Supercharge::dont_mutate_glyprocys(bool) –> void
- dont_mutate_hbonded_sidechains(self: pyrosetta.rosetta.protocols.design_opt.Supercharge, s: bool) None ¶
C++: protocols::design_opt::Supercharge::dont_mutate_hbonded_sidechains(bool) –> void
- energy_comparison(self: pyrosetta.rosetta.protocols.design_opt.Supercharge, native: pyrosetta.rosetta.core.pose.Pose, pose: pyrosetta.rosetta.core.pose.Pose) None ¶
C++: protocols::design_opt::Supercharge::energy_comparison(class core::pose::Pose &, class core::pose::Pose &) –> void
- 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.
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.design_opt.Supercharge) str ¶
C++: protocols::design_opt::Supercharge::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_net_charge(self: pyrosetta.rosetta.protocols.design_opt.Supercharge, pose: pyrosetta.rosetta.core.pose.Pose) int ¶
C++: protocols::design_opt::Supercharge::get_net_charge(const class core::pose::Pose &) –> int
- 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
- include_arg(self: pyrosetta.rosetta.protocols.design_opt.Supercharge, s: bool) None ¶
C++: protocols::design_opt::Supercharge::include_arg(bool) –> void
- include_asp(self: pyrosetta.rosetta.protocols.design_opt.Supercharge, s: bool) None ¶
C++: protocols::design_opt::Supercharge::include_asp(bool) –> void
- include_glu(self: pyrosetta.rosetta.protocols.design_opt.Supercharge, s: bool) None ¶
C++: protocols::design_opt::Supercharge::include_glu(bool) –> void
- include_lys(self: pyrosetta.rosetta.protocols.design_opt.Supercharge, s: bool) None ¶
C++: protocols::design_opt::Supercharge::include_lys(bool) –> void
- 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
- local_nstruct(self: pyrosetta.rosetta.protocols.design_opt.Supercharge, s: int) None ¶
C++: protocols::design_opt::Supercharge::local_nstruct(unsigned long) –> void
- static name() str ¶
C++: protocols::moves::Mover::name() –> std::string
- parse_my_tag(self: pyrosetta.rosetta.protocols.moves.Mover, tag: pyrosetta.rosetta.utility.tag.Tag, data: pyrosetta.rosetta.basic.datacache.DataMap) None ¶
Called by MoverFactory when constructing new Movers. Takes care of the specific mover’s parsing.
C++: protocols::moves::Mover::parse_my_tag(class std::shared_ptr<const class utility::tag::Tag>, class basic::datacache::DataMap &) –> void
- pre_packminpack(self: pyrosetta.rosetta.protocols.design_opt.Supercharge, s: bool) None ¶
C++: protocols::design_opt::Supercharge::pre_packminpack(bool) –> void
- prepack_input_structure(self: pyrosetta.rosetta.protocols.design_opt.Supercharge, pose: pyrosetta.rosetta.core.pose.Pose) None ¶
C++: protocols::design_opt::Supercharge::prepack_input_structure(class core::pose::Pose &) –> void
- print_netcharge_and_mutations(self: pyrosetta.rosetta.protocols.design_opt.Supercharge, starting_pose: pyrosetta.rosetta.core.pose.Pose, pose: pyrosetta.rosetta.core.pose.Pose) None ¶
C++: protocols::design_opt::Supercharge::print_netcharge_and_mutations(const class core::pose::Pose &, const class core::pose::Pose &) –> 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
- refweight_arg(self: pyrosetta.rosetta.protocols.design_opt.Supercharge, s: float) None ¶
C++: protocols::design_opt::Supercharge::refweight_arg(double) –> void
- refweight_asp(self: pyrosetta.rosetta.protocols.design_opt.Supercharge, s: float) None ¶
C++: protocols::design_opt::Supercharge::refweight_asp(double) –> void
- refweight_glu(self: pyrosetta.rosetta.protocols.design_opt.Supercharge, s: float) None ¶
C++: protocols::design_opt::Supercharge::refweight_glu(double) –> void
- refweight_lys(self: pyrosetta.rosetta.protocols.design_opt.Supercharge, s: float) None ¶
C++: protocols::design_opt::Supercharge::refweight_lys(double) –> 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_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_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_reference_energies(self: pyrosetta.rosetta.protocols.design_opt.Supercharge) pyrosetta.rosetta.utility.vector1_double ¶
C++: protocols::design_opt::Supercharge::set_reference_energies() –> class utility::vector1<double, class std::allocator<double> >
- set_resfile(self: pyrosetta.rosetta.protocols.design_opt.Supercharge, pose: pyrosetta.rosetta.core.pose.Pose) None ¶
C++: protocols::design_opt::Supercharge::set_resfile(const class core::pose::Pose &) –> void
- set_resfile_AvNAPSA(self: pyrosetta.rosetta.protocols.design_opt.Supercharge, pose: pyrosetta.rosetta.core.pose.Pose) None ¶
C++: protocols::design_opt::Supercharge::set_resfile_AvNAPSA(const class core::pose::Pose &) –> void
- set_surface(self: pyrosetta.rosetta.protocols.design_opt.Supercharge, pose: pyrosetta.rosetta.core.pose.Pose) None ¶
C++: protocols::design_opt::Supercharge::set_surface(const class core::pose::Pose &) –> 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
- surface_atom_cutoff(self: pyrosetta.rosetta.protocols.design_opt.Supercharge, s: int) None ¶
if target_net_charge is specified, the AvNAPSA cutoff is ignored
C++: protocols::design_opt::Supercharge::surface_atom_cutoff(unsigned long) –> void
- surface_residue_cutoff(self: pyrosetta.rosetta.protocols.design_opt.Supercharge, s: int) None ¶
C++: protocols::design_opt::Supercharge::surface_residue_cutoff(unsigned long) –> void
- target_net_charge(self: pyrosetta.rosetta.protocols.design_opt.Supercharge, s: int) None ¶
C++: protocols::design_opt::Supercharge::target_net_charge(int) –> void
- target_net_charge_active(self: pyrosetta.rosetta.protocols.design_opt.Supercharge, s: bool) None ¶
C++: protocols::design_opt::Supercharge::target_net_charge_active(bool) –> 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 &