dna¶
Bindings for protocols::dna namespace
- class pyrosetta.rosetta.protocols.dna.DNABase¶
Bases:
pybind11_object
- alpha(*args, **kwargs)¶
Overloaded function.
alpha(self: pyrosetta.rosetta.protocols.dna.DNABase) -> float
C++: protocols::dna::DNABase::alpha() const –> double
alpha(self: pyrosetta.rosetta.protocols.dna.DNABase, in_value: float) -> None
C++: protocols::dna::DNABase::alpha(double) –> void
- amplitude(*args, **kwargs)¶
Overloaded function.
amplitude(self: pyrosetta.rosetta.protocols.dna.DNABase) -> float
C++: protocols::dna::DNABase::amplitude() const –> double
amplitude(self: pyrosetta.rosetta.protocols.dna.DNABase, in_value: float) -> None
C++: protocols::dna::DNABase::amplitude(double) –> void
- beta(*args, **kwargs)¶
Overloaded function.
beta(self: pyrosetta.rosetta.protocols.dna.DNABase) -> float
C++: protocols::dna::DNABase::beta() const –> double
beta(self: pyrosetta.rosetta.protocols.dna.DNABase, in_value: float) -> None
C++: protocols::dna::DNABase::beta(double) –> void
- chi(*args, **kwargs)¶
Overloaded function.
chi(self: pyrosetta.rosetta.protocols.dna.DNABase) -> float
C++: protocols::dna::DNABase::chi() const –> double
chi(self: pyrosetta.rosetta.protocols.dna.DNABase, in_value: float) -> None
C++: protocols::dna::DNABase::chi(double) –> void
- delta(*args, **kwargs)¶
Overloaded function.
delta(self: pyrosetta.rosetta.protocols.dna.DNABase) -> float
C++: protocols::dna::DNABase::delta() const –> double
delta(self: pyrosetta.rosetta.protocols.dna.DNABase, in_value: float) -> None
C++: protocols::dna::DNABase::delta(double) –> void
- epsilon(*args, **kwargs)¶
Overloaded function.
epsilon(self: pyrosetta.rosetta.protocols.dna.DNABase) -> float
C++: protocols::dna::DNABase::epsilon() const –> double
epsilon(self: pyrosetta.rosetta.protocols.dna.DNABase, in_value: float) -> None
C++: protocols::dna::DNABase::epsilon(double) –> void
- gamma(*args, **kwargs)¶
Overloaded function.
gamma(self: pyrosetta.rosetta.protocols.dna.DNABase) -> float
C++: protocols::dna::DNABase::gamma() const –> double
gamma(self: pyrosetta.rosetta.protocols.dna.DNABase, in_value: float) -> None
C++: protocols::dna::DNABase::gamma(double) –> void
- pseudorotation(*args, **kwargs)¶
Overloaded function.
pseudorotation(self: pyrosetta.rosetta.protocols.dna.DNABase) -> float
C++: protocols::dna::DNABase::pseudorotation() const –> double
pseudorotation(self: pyrosetta.rosetta.protocols.dna.DNABase, in_value: float) -> None
C++: protocols::dna::DNABase::pseudorotation(double) –> void
- zeta(*args, **kwargs)¶
Overloaded function.
zeta(self: pyrosetta.rosetta.protocols.dna.DNABase) -> float
C++: protocols::dna::DNABase::zeta() const –> double
zeta(self: pyrosetta.rosetta.protocols.dna.DNABase, in_value: float) -> None
C++: protocols::dna::DNABase::zeta(double) –> void
- class pyrosetta.rosetta.protocols.dna.DNABasepair¶
Bases:
pybind11_object
- buckle(*args, **kwargs)¶
Overloaded function.
buckle(self: pyrosetta.rosetta.protocols.dna.DNABasepair) -> float
C++: protocols::dna::DNABasepair::buckle() const –> double
buckle(self: pyrosetta.rosetta.protocols.dna.DNABasepair, in_value: float) -> None
C++: protocols::dna::DNABasepair::buckle(double) –> void
- opening(*args, **kwargs)¶
Overloaded function.
opening(self: pyrosetta.rosetta.protocols.dna.DNABasepair) -> float
C++: protocols::dna::DNABasepair::opening() const –> double
opening(self: pyrosetta.rosetta.protocols.dna.DNABasepair, in_value: float) -> None
C++: protocols::dna::DNABasepair::opening(double) –> void
- propeller(*args, **kwargs)¶
Overloaded function.
propeller(self: pyrosetta.rosetta.protocols.dna.DNABasepair) -> float
C++: protocols::dna::DNABasepair::propeller() const –> double
propeller(self: pyrosetta.rosetta.protocols.dna.DNABasepair, in_value: float) -> None
C++: protocols::dna::DNABasepair::propeller(double) –> void
- shear(*args, **kwargs)¶
Overloaded function.
shear(self: pyrosetta.rosetta.protocols.dna.DNABasepair) -> float
C++: protocols::dna::DNABasepair::shear() const –> double
shear(self: pyrosetta.rosetta.protocols.dna.DNABasepair, in_value: float) -> None
C++: protocols::dna::DNABasepair::shear(double) –> void
- stagger(*args, **kwargs)¶
Overloaded function.
stagger(self: pyrosetta.rosetta.protocols.dna.DNABasepair) -> float
C++: protocols::dna::DNABasepair::stagger() const –> double
stagger(self: pyrosetta.rosetta.protocols.dna.DNABasepair, in_value: float) -> None
C++: protocols::dna::DNABasepair::stagger(double) –> void
- stretch(*args, **kwargs)¶
Overloaded function.
stretch(self: pyrosetta.rosetta.protocols.dna.DNABasepair) -> float
C++: protocols::dna::DNABasepair::stretch() const –> double
stretch(self: pyrosetta.rosetta.protocols.dna.DNABasepair, in_value: float) -> None
C++: protocols::dna::DNABasepair::stretch(double) –> void
- class pyrosetta.rosetta.protocols.dna.DNABasestep¶
Bases:
pybind11_object
- rise(*args, **kwargs)¶
Overloaded function.
rise(self: pyrosetta.rosetta.protocols.dna.DNABasestep) -> float
C++: protocols::dna::DNABasestep::rise() const –> double
rise(self: pyrosetta.rosetta.protocols.dna.DNABasestep, in_value: float) -> None
C++: protocols::dna::DNABasestep::rise(double) –> void
- roll(*args, **kwargs)¶
Overloaded function.
roll(self: pyrosetta.rosetta.protocols.dna.DNABasestep) -> float
C++: protocols::dna::DNABasestep::roll() const –> double
roll(self: pyrosetta.rosetta.protocols.dna.DNABasestep, in_value: float) -> None
C++: protocols::dna::DNABasestep::roll(double) –> void
- shift(*args, **kwargs)¶
Overloaded function.
shift(self: pyrosetta.rosetta.protocols.dna.DNABasestep) -> float
C++: protocols::dna::DNABasestep::shift() const –> double
shift(self: pyrosetta.rosetta.protocols.dna.DNABasestep, in_value: float) -> None
C++: protocols::dna::DNABasestep::shift(double) –> void
- slide(*args, **kwargs)¶
Overloaded function.
slide(self: pyrosetta.rosetta.protocols.dna.DNABasestep) -> float
C++: protocols::dna::DNABasestep::slide() const –> double
slide(self: pyrosetta.rosetta.protocols.dna.DNABasestep, in_value: float) -> None
C++: protocols::dna::DNABasestep::slide(double) –> void
- tilt(*args, **kwargs)¶
Overloaded function.
tilt(self: pyrosetta.rosetta.protocols.dna.DNABasestep) -> float
C++: protocols::dna::DNABasestep::tilt() const –> double
tilt(self: pyrosetta.rosetta.protocols.dna.DNABasestep, in_value: float) -> None
C++: protocols::dna::DNABasestep::tilt(double) –> void
- twist(*args, **kwargs)¶
Overloaded function.
twist(self: pyrosetta.rosetta.protocols.dna.DNABasestep) -> float
C++: protocols::dna::DNABasestep::twist() const –> double
twist(self: pyrosetta.rosetta.protocols.dna.DNABasestep, in_value: float) -> None
C++: protocols::dna::DNABasestep::twist(double) –> void
- class pyrosetta.rosetta.protocols.dna.DNAParameters¶
Bases:
pybind11_object
- assign(self: pyrosetta.rosetta.protocols.dna.DNAParameters, : pyrosetta.rosetta.protocols.dna.DNAParameters) pyrosetta.rosetta.protocols.dna.DNAParameters ¶
C++: protocols::dna::DNAParameters::operator=(const class protocols::dna::DNAParameters &) –> class protocols::dna::DNAParameters &
- base(self: pyrosetta.rosetta.protocols.dna.DNAParameters, resid: int) pyrosetta.rosetta.protocols.dna.DNABase ¶
C++: protocols::dna::DNAParameters::base(unsigned long) const –> const class protocols::dna::DNABase &
- basepair(self: pyrosetta.rosetta.protocols.dna.DNAParameters, resid: int) pyrosetta.rosetta.protocols.dna.DNABasepair ¶
C++: protocols::dna::DNAParameters::basepair(unsigned long) const –> const class protocols::dna::DNABasepair &
- basestep(self: pyrosetta.rosetta.protocols.dna.DNAParameters, resid: int) pyrosetta.rosetta.protocols.dna.DNABasestep ¶
C++: protocols::dna::DNAParameters::basestep(unsigned long) const –> const class protocols::dna::DNABasestep &
- calculate(self: pyrosetta.rosetta.protocols.dna.DNAParameters, pose: pyrosetta.rosetta.core.pose.Pose) None ¶
C++: protocols::dna::DNAParameters::calculate(const class core::pose::Pose &) –> void
- find_partner(self: pyrosetta.rosetta.protocols.dna.DNAParameters, resid: int) int ¶
C++: protocols::dna::DNAParameters::find_partner(unsigned long) const –> unsigned long
- is_base_paired(self: pyrosetta.rosetta.protocols.dna.DNAParameters, resid: int) bool ¶
C++: protocols::dna::DNAParameters::is_base_paired(unsigned long) const –> bool
- nth_dna_base(self: pyrosetta.rosetta.protocols.dna.DNAParameters, index: int) int ¶
C++: protocols::dna::DNAParameters::nth_dna_base(unsigned long) const –> const unsigned long &
- number_of_basepairs(self: pyrosetta.rosetta.protocols.dna.DNAParameters) int ¶
C++: protocols::dna::DNAParameters::number_of_basepairs() –> unsigned long
- number_of_bases(self: pyrosetta.rosetta.protocols.dna.DNAParameters) int ¶
C++: protocols::dna::DNAParameters::number_of_bases() –> unsigned long
- number_of_basesteps(self: pyrosetta.rosetta.protocols.dna.DNAParameters) int ¶
C++: protocols::dna::DNAParameters::number_of_basesteps() –> unsigned long
- random_basepair(self: pyrosetta.rosetta.protocols.dna.DNAParameters) int ¶
C++: protocols::dna::DNAParameters::random_basepair() const –> unsigned long
- random_basestep(self: pyrosetta.rosetta.protocols.dna.DNAParameters) int ¶
C++: protocols::dna::DNAParameters::random_basestep() const –> unsigned long
- valid_basestep_start(self: pyrosetta.rosetta.protocols.dna.DNAParameters, resid: int) bool ¶
C++: protocols::dna::DNAParameters::valid_basestep_start(unsigned long) const –> bool
- class pyrosetta.rosetta.protocols.dna.DesignProteinBackboneAroundDNA¶
Bases:
PackRotamersMover
- apply(self: pyrosetta.rosetta.protocols.dna.DesignProteinBackboneAroundDNA, : pyrosetta.rosetta.core.pose.Pose) None ¶
C++: protocols::dna::DesignProteinBackboneAroundDNA::apply(class core::pose::Pose &) –> void
- assign(self: pyrosetta.rosetta.protocols.dna.DesignProteinBackboneAroundDNA, : pyrosetta.rosetta.protocols.dna.DesignProteinBackboneAroundDNA) pyrosetta.rosetta.protocols.dna.DesignProteinBackboneAroundDNA ¶
C++: protocols::dna::DesignProteinBackboneAroundDNA::operator=(const class protocols::dna::DesignProteinBackboneAroundDNA &) –> class protocols::dna::DesignProteinBackboneAroundDNA &
- 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.dna.DesignProteinBackboneAroundDNA) pyrosetta.rosetta.protocols.moves.Mover ¶
required in the context of the parser/scripting scheme
C++: protocols::dna::DesignProteinBackboneAroundDNA::clone() const –> class std::shared_ptr<class protocols::moves::Mover>
- static complex_type_generator_for_pack_rotamers_mover(xsd: utility::tag::XMLSchemaDefinition) utility::tag::XMLSchemaComplexTypeGenerator ¶
C++: protocols::minimization_packing::PackRotamersMover::complex_type_generator_for_pack_rotamers_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>
- fresh_instance(self: pyrosetta.rosetta.protocols.dna.DesignProteinBackboneAroundDNA) pyrosetta.rosetta.protocols.moves.Mover ¶
required in the context of the parser/scripting scheme
C++: protocols::dna::DesignProteinBackboneAroundDNA::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.dna.DesignProteinBackboneAroundDNA) str ¶
C++: protocols::dna::DesignProteinBackboneAroundDNA::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_task_factory_with_operations(self: pyrosetta.rosetta.protocols.minimization_packing.PackRotamersMover, : pyrosetta.rosetta.std.list_std_shared_ptr_core_pack_task_operation_TaskOperation_t) None ¶
C++: protocols::minimization_packing::PackRotamersMover::initialize_task_factory_with_operations(const class std::list<class std::shared_ptr<class core::pack::task::operation::TaskOperation>, class std::allocator<class std::shared_ptr<class core::pack::task::operation::TaskOperation> > > &) –> void
- last_proposal_density_ratio(self: pyrosetta.rosetta.protocols.moves.Mover) float ¶
C++: protocols::moves::Mover::last_proposal_density_ratio() –> double
- static list_options_read(opts: pyrosetta.rosetta.std.list_utility_keys_VariantKey_utility_options_OptionKey_t) None ¶
C++: protocols::minimization_packing::PackRotamersMover::list_options_read(class std::list<class utility::keys::VariantKey<class utility::options::OptionKey>, class std::allocator<class utility::keys::VariantKey<class utility::options::OptionKey> > > &) –> void
- static mover_name() str ¶
C++: protocols::dna::DesignProteinBackboneAroundDNA::mover_name() –> std::string
- static name() str ¶
C++: protocols::moves::Mover::name() –> std::string
- nloop(*args, **kwargs)¶
Overloaded function.
nloop(self: pyrosetta.rosetta.protocols.minimization_packing.PackRotamersMover, nloop_in: int) -> None
C++: protocols::minimization_packing::PackRotamersMover::nloop(unsigned long) –> void
nloop(self: pyrosetta.rosetta.protocols.minimization_packing.PackRotamersMover) -> int
C++: protocols::minimization_packing::PackRotamersMover::nloop() const –> unsigned long
- parse_my_tag(self: pyrosetta.rosetta.protocols.dna.DesignProteinBackboneAroundDNA, : pyrosetta.rosetta.utility.tag.Tag, : pyrosetta.rosetta.basic.datacache.DataMap) None ¶
parse XML (specifically in the context of the parser/scripting scheme)
C++: protocols::dna::DesignProteinBackboneAroundDNA::parse_my_tag(class std::shared_ptr<const class utility::tag::Tag>, class basic::datacache::DataMap &) –> void
- parse_score_function(self: pyrosetta.rosetta.protocols.minimization_packing.PackRotamersMover, : pyrosetta.rosetta.utility.tag.Tag, : pyrosetta.rosetta.basic.datacache.DataMap) None ¶
parse “scorefxn” XML option (can be employed virtually by derived Packing movers)
C++: protocols::minimization_packing::PackRotamersMover::parse_score_function(class std::shared_ptr<const class utility::tag::Tag>, const class basic::datacache::DataMap &) –> void
- parse_task_operations(self: pyrosetta.rosetta.protocols.minimization_packing.PackRotamersMover, : pyrosetta.rosetta.utility.tag.Tag, : pyrosetta.rosetta.basic.datacache.DataMap) None ¶
parse “task_operations” XML option (can be employed virtually by derived Packing movers)
C++: protocols::minimization_packing::PackRotamersMover::parse_task_operations(class std::shared_ptr<const class utility::tag::Tag>, const 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::dna::DesignProteinBackboneAroundDNA::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
- rotamer_sets(self: pyrosetta.rosetta.protocols.minimization_packing.PackRotamersMover) pyrosetta.rosetta.core.pack.rotamer_set.RotamerSets ¶
Returns the RotamerSets object being used for packing
This is only valid after a call to setup or apply.
C++: protocols::minimization_packing::PackRotamersMover::rotamer_sets() const –> class std::shared_ptr<const class core::pack::rotamer_set::RotamerSets>
- score_function(*args, **kwargs)¶
Overloaded function.
score_function(self: pyrosetta.rosetta.protocols.minimization_packing.PackRotamersMover, sf: pyrosetta.rosetta.core.scoring.ScoreFunction) -> None
Sets the ScoreFunction to <sf>
- example(s):
packmover.score_function(scorefxn)
- See Also:
PackRotamersMover PackRotamersMover.task
C++: protocols::minimization_packing::PackRotamersMover::score_function(class std::shared_ptr<const class core::scoring::ScoreFunction>) –> void
score_function(self: pyrosetta.rosetta.protocols.minimization_packing.PackRotamersMover) -> pyrosetta.rosetta.core.scoring.ScoreFunction
Returns the ScoreFunction
- example(s):
packmover.score_function()
- See Also:
PackRotamersMover PackRotamersMover.task
C++: protocols::minimization_packing::PackRotamersMover::score_function() const –> class std::shared_ptr<const class core::scoring::ScoreFunction>
- set_annealer_observer(self: pyrosetta.rosetta.protocols.minimization_packing.PackRotamersMover, observer: pyrosetta.rosetta.core.pack.annealer.AnnealerObserver) None ¶
C++: protocols::minimization_packing::PackRotamersMover::set_annealer_observer(class std::shared_ptr<class core::pack::annealer::AnnealerObserver>) –> 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.minimization_packing.PackRotamersMover) -> None
show(self: pyrosetta.rosetta.protocols.minimization_packing.PackRotamersMover, output: pyrosetta.rosetta.std.ostream) -> None
C++: protocols::minimization_packing::PackRotamersMover::show(std::ostream &) const –> void
- targeted_dna(*args, **kwargs)¶
Overloaded function.
targeted_dna(self: pyrosetta.rosetta.protocols.dna.DesignProteinBackboneAroundDNA, : pyrosetta.rosetta.utility.vector1_std_shared_ptr_protocols_dna_DnaDesignDef_t) -> None
C++: protocols::dna::DesignProteinBackboneAroundDNA::targeted_dna(const class utility::vector1<class std::shared_ptr<class protocols::dna::DnaDesignDef>, class std::allocator<class std::shared_ptr<class protocols::dna::DnaDesignDef> > > &) –> void
targeted_dna(self: pyrosetta.rosetta.protocols.dna.DesignProteinBackboneAroundDNA) -> pyrosetta.rosetta.utility.vector1_std_shared_ptr_protocols_dna_DnaDesignDef_t
C++: protocols::dna::DesignProteinBackboneAroundDNA::targeted_dna() const –> const class utility::vector1<class std::shared_ptr<class protocols::dna::DnaDesignDef>, class std::allocator<class std::shared_ptr<class protocols::dna::DnaDesignDef> > > &
- task(*args, **kwargs)¶
Overloaded function.
task(self: pyrosetta.rosetta.protocols.minimization_packing.PackRotamersMover, t: pyrosetta.rosetta.core.pack.task.PackerTask) -> None
Sets the PackerTask to <t>
- example(s):
packmover.task(task_pack)
- See Also:
PackRotamersMover PackRotamersMover.task_factory
C++: protocols::minimization_packing::PackRotamersMover::task(class std::shared_ptr<const class core::pack::task::PackerTask>) –> void
task(self: pyrosetta.rosetta.protocols.minimization_packing.PackRotamersMover) -> pyrosetta.rosetta.core.pack.task.PackerTask
Returns the PackerTask
- example(s):
packmover.task()
- See Also:
PackRotamersMover PackRotamersMover.task_factory
C++: protocols::minimization_packing::PackRotamersMover::task() const –> class std::shared_ptr<const class core::pack::task::PackerTask>
- task_factory(*args, **kwargs)¶
Overloaded function.
task_factory(self: pyrosetta.rosetta.protocols.minimization_packing.PackRotamersMover, tf: pyrosetta.rosetta.core.pack.task.TaskFactory) -> None
Sets the TaskFactory to <tf>
- example(s):
packmover.task_factory(task_design)
- See Also:
PackRotamersMover PackRotamersMover.task
C++: protocols::minimization_packing::PackRotamersMover::task_factory(class std::shared_ptr<const class core::pack::task::TaskFactory>) –> void
task_factory(self: pyrosetta.rosetta.protocols.minimization_packing.PackRotamersMover) -> pyrosetta.rosetta.core.pack.task.TaskFactory
Returns the TaskFactory
- example(s):
packmover.task_factory()
- See Also:
PackRotamersMover PackRotamersMover.task
C++: protocols::minimization_packing::PackRotamersMover::task_factory() const –> class std::shared_ptr<const class core::pack::task::TaskFactory>
- task_is_valid(self: pyrosetta.rosetta.protocols.minimization_packing.PackRotamersMover, pose: pyrosetta.rosetta.core.pose.Pose) bool ¶
C++: protocols::minimization_packing::PackRotamersMover::task_is_valid(const class core::pose::Pose &) const –> bool
- test_move(self: pyrosetta.rosetta.protocols.moves.Mover, pose: pyrosetta.rosetta.core.pose.Pose) None ¶
- : Unit test support function. Apply one move to a given pose.
Allows extra test specific functions to be called before applying
C++: protocols::moves::Mover::test_move(class core::pose::Pose &) –> void
- 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.dna.DesignProteinBackboneAroundDNACreator¶
Bases:
MoverCreator
- assign(self: pyrosetta.rosetta.protocols.dna.DesignProteinBackboneAroundDNACreator, : pyrosetta.rosetta.protocols.dna.DesignProteinBackboneAroundDNACreator) pyrosetta.rosetta.protocols.dna.DesignProteinBackboneAroundDNACreator ¶
C++: protocols::dna::DesignProteinBackboneAroundDNACreator::operator=(const class protocols::dna::DesignProteinBackboneAroundDNACreator &) –> class protocols::dna::DesignProteinBackboneAroundDNACreator &
- create_mover(self: pyrosetta.rosetta.protocols.dna.DesignProteinBackboneAroundDNACreator) pyrosetta.rosetta.protocols.moves.Mover ¶
C++: protocols::dna::DesignProteinBackboneAroundDNACreator::create_mover() const –> class std::shared_ptr<class protocols::moves::Mover>
- keyname(self: pyrosetta.rosetta.protocols.dna.DesignProteinBackboneAroundDNACreator) str ¶
C++: protocols::dna::DesignProteinBackboneAroundDNACreator::keyname() const –> std::string
- class pyrosetta.rosetta.protocols.dna.DnaChains¶
Bases:
pybind11_object
- assign(self: pyrosetta.rosetta.protocols.dna.DnaChains, : pyrosetta.rosetta.protocols.dna.DnaChains) pyrosetta.rosetta.protocols.dna.DnaChains ¶
C++: protocols::dna::DnaChains::operator=(const class protocols::dna::DnaChains &) –> class protocols::dna::DnaChains &
- clear(self: pyrosetta.rosetta.protocols.dna.DnaChains) None ¶
C++: protocols::dna::DnaChains::clear() –> void
- clone(self: pyrosetta.rosetta.protocols.dna.DnaChains) pyrosetta.rosetta.protocols.dna.DnaChains ¶
C++: protocols::dna::DnaChains::clone() const –> class std::shared_ptr<class protocols::dna::DnaChains>
- contains(self: pyrosetta.rosetta.protocols.dna.DnaChains, index: int) bool ¶
C++: protocols::dna::DnaChains::contains(unsigned long) const –> bool
- empty(self: pyrosetta.rosetta.protocols.dna.DnaChains) bool ¶
C++: protocols::dna::DnaChains::empty() const –> bool
- is_top(self: pyrosetta.rosetta.protocols.dna.DnaChains, index: int) bool ¶
C++: protocols::dna::DnaChains::is_top(unsigned long) const –> bool
- positions(self: pyrosetta.rosetta.protocols.dna.DnaChains) pyrosetta.rosetta.std.map_unsigned_long_protocols_dna_DnaPosition ¶
C++: protocols::dna::DnaChains::positions() –> class std::map<unsigned long, class protocols::dna::DnaPosition, struct std::less<unsigned long>, class std::allocator<struct std::pair<const unsigned long, class protocols::dna::DnaPosition> > > &
- print(self: pyrosetta.rosetta.protocols.dna.DnaChains, pose: pyrosetta.rosetta.core.pose.Pose, os: pyrosetta.rosetta.std.ostream) None ¶
C++: protocols::dna::DnaChains::print(const class core::pose::Pose &, std::ostream &) const –> void
- size(self: pyrosetta.rosetta.protocols.dna.DnaChains) int ¶
C++: protocols::dna::DnaChains::size() const –> unsigned long
- class pyrosetta.rosetta.protocols.dna.DnaDesignDef¶
Bases:
pybind11_object
command-line dna_defs are of the format “C.501.ADE” they are parsed here into this little class for convenience
- assign(self: pyrosetta.rosetta.protocols.dna.DnaDesignDef, : pyrosetta.rosetta.protocols.dna.DnaDesignDef) pyrosetta.rosetta.protocols.dna.DnaDesignDef ¶
C++: protocols::dna::DnaDesignDef::operator=(const class protocols::dna::DnaDesignDef &) –> class protocols::dna::DnaDesignDef &
- property chain¶
- property name3¶
- property pdbpos¶
- class pyrosetta.rosetta.protocols.dna.DnaInterfaceFinder¶
Bases:
pybind11_object
- assign(self: pyrosetta.rosetta.protocols.dna.DnaInterfaceFinder, : pyrosetta.rosetta.protocols.dna.DnaInterfaceFinder) pyrosetta.rosetta.protocols.dna.DnaInterfaceFinder ¶
C++: protocols::dna::DnaInterfaceFinder::operator=(const class protocols::dna::DnaInterfaceFinder &) –> class protocols::dna::DnaInterfaceFinder &
- clone(self: pyrosetta.rosetta.protocols.dna.DnaInterfaceFinder) pyrosetta.rosetta.protocols.dna.DnaInterfaceFinder ¶
C++: protocols::dna::DnaInterfaceFinder::clone() const –> class std::shared_ptr<class protocols::dna::DnaInterfaceFinder>
- determine_dna_interface(self: pyrosetta.rosetta.protocols.dna.DnaInterfaceFinder, pose: pyrosetta.rosetta.core.pose.Pose, protein_positions: pyrosetta.rosetta.utility.vector1_unsigned_long, dna_positions: pyrosetta.rosetta.utility.vector1_unsigned_long) None ¶
C++: protocols::dna::DnaInterfaceFinder::determine_dna_interface(const class core::pose::Pose &, const class utility::vector1<unsigned long, class std::allocator<unsigned long> > &, const class utility::vector1<unsigned long, class std::allocator<unsigned long> > &) –> void
- determine_interface(*args, **kwargs)¶
Overloaded function.
determine_interface(self: pyrosetta.rosetta.protocols.dna.DnaInterfaceFinder, pose: pyrosetta.rosetta.core.pose.Pose, protein_positions: pyrosetta.rosetta.utility.vector1_unsigned_long, dna_positions: pyrosetta.rosetta.utility.vector1_unsigned_long) -> None
C++: protocols::dna::DnaInterfaceFinder::determine_interface(const class core::pose::Pose &, const class utility::vector1<unsigned long, class std::allocator<unsigned long> > &, const class utility::vector1<unsigned long, class std::allocator<unsigned long> > &) –> void
determine_interface(self: pyrosetta.rosetta.protocols.dna.DnaInterfaceFinder, pose: pyrosetta.rosetta.core.pose.Pose) -> None
C++: protocols::dna::DnaInterfaceFinder::determine_interface(const class core::pose::Pose &) –> void
- determine_protein_interface(*args, **kwargs)¶
Overloaded function.
determine_protein_interface(self: pyrosetta.rosetta.protocols.dna.DnaInterfaceFinder, pose: pyrosetta.rosetta.core.pose.Pose) -> None
C++: protocols::dna::DnaInterfaceFinder::determine_protein_interface(const class core::pose::Pose &) –> void
determine_protein_interface(self: pyrosetta.rosetta.protocols.dna.DnaInterfaceFinder, pose: pyrosetta.rosetta.core.pose.Pose, protein_positions: pyrosetta.rosetta.utility.vector1_unsigned_long, dna_positions: pyrosetta.rosetta.utility.vector1_unsigned_long) -> None
C++: protocols::dna::DnaInterfaceFinder::determine_protein_interface(const class core::pose::Pose &, const class utility::vector1<unsigned long, class std::allocator<unsigned long> > &, const class utility::vector1<unsigned long, class std::allocator<unsigned long> > &) –> void
- dna_neighbors(self: pyrosetta.rosetta.protocols.dna.DnaInterfaceFinder) pyrosetta.rosetta.std.map_unsigned_long_protocols_dna_DnaNeighbor ¶
C++: protocols::dna::DnaInterfaceFinder::dna_neighbors() const –> const class std::map<unsigned long, class protocols::dna::DnaNeighbor, struct std::less<unsigned long>, class std::allocator<struct std::pair<const unsigned long, class protocols::dna::DnaNeighbor> > > &
- initialized(self: pyrosetta.rosetta.protocols.dna.DnaInterfaceFinder) bool ¶
C++: protocols::dna::DnaInterfaceFinder::initialized() const –> bool
- protein_neighbors(self: pyrosetta.rosetta.protocols.dna.DnaInterfaceFinder) pyrosetta.rosetta.std.map_unsigned_long_protocols_dna_DnaNeighbor ¶
C++: protocols::dna::DnaInterfaceFinder::protein_neighbors() const –> const class std::map<unsigned long, class protocols::dna::DnaNeighbor, struct std::less<unsigned long>, class std::allocator<struct std::pair<const unsigned long, class protocols::dna::DnaNeighbor> > > &
- class pyrosetta.rosetta.protocols.dna.DnaInterfaceMinMover¶
Bases:
MinMover
- abs_score_convergence_threshold(*args, **kwargs)¶
Overloaded function.
abs_score_convergence_threshold(self: pyrosetta.rosetta.protocols.minimization_packing.MinMover, newval: float) -> None
C++: protocols::minimization_packing::MinMover::abs_score_convergence_threshold(double) –> void
abs_score_convergence_threshold(self: pyrosetta.rosetta.protocols.minimization_packing.MinMover) -> float
C++: protocols::minimization_packing::MinMover::abs_score_convergence_threshold() const –> double
- abs_score_diff_after_minimization(self: pyrosetta.rosetta.protocols.minimization_packing.MinMover) float ¶
C++: protocols::minimization_packing::MinMover::abs_score_diff_after_minimization() const –> double
- apply(self: pyrosetta.rosetta.protocols.dna.DnaInterfaceMinMover, : pyrosetta.rosetta.core.pose.Pose) None ¶
C++: protocols::dna::DnaInterfaceMinMover::apply(class core::pose::Pose &) –> void
- assign(self: pyrosetta.rosetta.protocols.dna.DnaInterfaceMinMover, : pyrosetta.rosetta.protocols.dna.DnaInterfaceMinMover) pyrosetta.rosetta.protocols.dna.DnaInterfaceMinMover ¶
C++: protocols::dna::DnaInterfaceMinMover::operator=(const class protocols::dna::DnaInterfaceMinMover &) –> class protocols::dna::DnaInterfaceMinMover &
- bb(self: pyrosetta.rosetta.protocols.dna.DnaInterfaceMinMover, value: bool) None ¶
C++: protocols::dna::DnaInterfaceMinMover::bb(bool) –> void
- cartesian(*args, **kwargs)¶
Overloaded function.
cartesian(self: pyrosetta.rosetta.protocols.minimization_packing.MinMover, newval: bool) -> None
C++: protocols::minimization_packing::MinMover::cartesian(bool) –> void
cartesian(self: pyrosetta.rosetta.protocols.minimization_packing.MinMover) -> bool
C++: protocols::minimization_packing::MinMover::cartesian() const –> bool
- chi(self: pyrosetta.rosetta.protocols.dna.DnaInterfaceMinMover, value: bool) None ¶
C++: protocols::dna::DnaInterfaceMinMover::chi(bool) –> 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.dna.DnaInterfaceMinMover) pyrosetta.rosetta.protocols.moves.Mover ¶
required in the context of the parser/scripting scheme
C++: protocols::dna::DnaInterfaceMinMover::clone() const –> class std::shared_ptr<class protocols::moves::Mover>
- static complex_type_generator_for_min_mover(xsd: utility::tag::XMLSchemaDefinition) utility::tag::XMLSchemaComplexTypeGenerator ¶
C++: protocols::minimization_packing::MinMover::complex_type_generator_for_min_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>
- deriv_check(*args, **kwargs)¶
Overloaded function.
deriv_check(self: pyrosetta.rosetta.protocols.minimization_packing.MinMover, deriv_check_in: bool) -> None
C++: protocols::minimization_packing::MinMover::deriv_check(bool) –> void
deriv_check(self: pyrosetta.rosetta.protocols.minimization_packing.MinMover) -> bool
C++: protocols::minimization_packing::MinMover::deriv_check() const –> bool
- explicitly_set_movemap(self: pyrosetta.rosetta.protocols.minimization_packing.MinMover) pyrosetta.rosetta.core.kinematics.MoveMap ¶
- Get the explicitly set movemap object, if present, nullptr if not
Will not create a default or look at the MoveMapFactory
C++: protocols::minimization_packing::MinMover::explicitly_set_movemap() const –> class std::shared_ptr<const class core::kinematics::MoveMap>
- fresh_instance(self: pyrosetta.rosetta.protocols.dna.DnaInterfaceMinMover) pyrosetta.rosetta.protocols.moves.Mover ¶
required in the context of the parser/scripting scheme
C++: protocols::dna::DnaInterfaceMinMover::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.dna.DnaInterfaceMinMover) str ¶
C++: protocols::dna::DnaInterfaceMinMover::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(self: pyrosetta.rosetta.protocols.moves.MoveMapMover, : pyrosetta.rosetta.core.pose.Pose) None ¶
C++: protocols::moves::MoveMapMover::initialize(class core::pose::Pose &) –> void
- last_proposal_density_ratio(self: pyrosetta.rosetta.protocols.moves.Mover) float ¶
C++: protocols::moves::Mover::last_proposal_density_ratio() –> double
- max_iter(self: pyrosetta.rosetta.protocols.minimization_packing.MinMover, max_iter_in: int) None ¶
C++: protocols::minimization_packing::MinMover::max_iter(unsigned long) –> void
- min_options(*args, **kwargs)¶
Overloaded function.
min_options(self: pyrosetta.rosetta.protocols.minimization_packing.MinMover) -> pyrosetta.rosetta.core.optimization.MinimizerOptions
allow non-const access to the internal minimizer options object
C++: protocols::minimization_packing::MinMover::min_options() –> class std::shared_ptr<class core::optimization::MinimizerOptions>
min_options(self: pyrosetta.rosetta.protocols.minimization_packing.MinMover, min_options: pyrosetta.rosetta.core.optimization.MinimizerOptions) -> None
directly set the internal minimizer options object
C++: protocols::minimization_packing::MinMover::min_options(class std::shared_ptr<class core::optimization::MinimizerOptions>) –> void
- min_type(*args, **kwargs)¶
Overloaded function.
min_type(self: pyrosetta.rosetta.protocols.minimization_packing.MinMover, min_type_in: str) -> None
C++: protocols::minimization_packing::MinMover::min_type(std::string) –> void
min_type(self: pyrosetta.rosetta.protocols.minimization_packing.MinMover) -> str
C++: protocols::minimization_packing::MinMover::min_type() const –> std::string
- movemap(*args, **kwargs)¶
Overloaded function.
movemap(self: pyrosetta.rosetta.protocols.minimization_packing.MinMover, movemap_in: pyrosetta.rosetta.core.kinematics.MoveMap) -> None
- Sets the MoveMap to <movemap_in>
determines which DOF to minimize
- example(s):
minmover.movemap(movemap1)
- See also:
MinMover MinMover.apply MinMover.score_function MoveMap
C++: protocols::minimization_packing::MinMover::movemap(class std::shared_ptr<const class core::kinematics::MoveMap>) –> void
movemap(self: pyrosetta.rosetta.protocols.minimization_packing.MinMover, pose: pyrosetta.rosetta.core.pose.Pose) -> pyrosetta.rosetta.core.kinematics.MoveMap
Get the movemap for the pose
This is the preferred version to call.
C++: protocols::minimization_packing::MinMover::movemap(const class core::pose::Pose &) const –> class std::shared_ptr<const class core::kinematics::MoveMap>
- movemap_factory(self: pyrosetta.rosetta.protocols.minimization_packing.MinMover, mmf: pyrosetta.rosetta.core.select.movemap.MoveMapFactory) None ¶
- Sets the MoveMapFactory
The MoveMapFactory will be used to construct a MoveMap if an explicit one isn’t set
C++: protocols::minimization_packing::MinMover::movemap_factory(class std::shared_ptr<const class core::select::movemap::MoveMapFactory>) –> void
- static mover_name() str ¶
C++: protocols::dna::DnaInterfaceMinMover::mover_name() –> std::string
- static name() str ¶
C++: protocols::moves::Mover::name() –> std::string
- nb_list(*args, **kwargs)¶
Overloaded function.
nb_list(self: pyrosetta.rosetta.protocols.minimization_packing.MinMover, nb_list_in: bool) -> None
core::optimization::MinimizerOptions::use_nblist(bool)
C++: protocols::minimization_packing::MinMover::nb_list(bool) –> void
nb_list(self: pyrosetta.rosetta.protocols.minimization_packing.MinMover) -> bool
core::optimization::MinimizerOptions::use_nblist()
C++: protocols::minimization_packing::MinMover::nb_list() const –> bool
- omega(*args, **kwargs)¶
Overloaded function.
omega(self: pyrosetta.rosetta.protocols.minimization_packing.MinMover) -> bool
C++: protocols::minimization_packing::MinMover::omega() const –> bool
omega(self: pyrosetta.rosetta.protocols.minimization_packing.MinMover, b: bool) -> None
C++: protocols::minimization_packing::MinMover::omega(const bool) –> void
- parse_dof_task_type(self: pyrosetta.rosetta.protocols.minimization_packing.MinMover, tag_name: str, dof_type: pyrosetta.rosetta.core.id.DOF_Type, torsion_type: pyrosetta.rosetta.core.id.TorsionType, tag: pyrosetta.rosetta.utility.tag.Tag, data: pyrosetta.rosetta.basic.datacache.DataMap) None ¶
C++: protocols::minimization_packing::MinMover::parse_dof_task_type(const std::string &, enum core::id::DOF_Type, enum core::id::TorsionType, class std::shared_ptr<const class utility::tag::Tag>, class basic::datacache::DataMap &) –> void
- parse_dof_tasks(self: pyrosetta.rosetta.protocols.minimization_packing.MinMover, tag: pyrosetta.rosetta.utility.tag.Tag, data: pyrosetta.rosetta.basic.datacache.DataMap) None ¶
C++: protocols::minimization_packing::MinMover::parse_dof_tasks(class std::shared_ptr<const class utility::tag::Tag>, class basic::datacache::DataMap &) –> void
- parse_movemap_factory(self: pyrosetta.rosetta.protocols.minimization_packing.MinMover, : pyrosetta.rosetta.utility.tag.Tag, : pyrosetta.rosetta.basic.datacache.DataMap) None ¶
C++: protocols::minimization_packing::MinMover::parse_movemap_factory(class std::shared_ptr<const class utility::tag::Tag>, class basic::datacache::DataMap &) –> void
- parse_my_tag(self: pyrosetta.rosetta.protocols.dna.DnaInterfaceMinMover, : pyrosetta.rosetta.utility.tag.Tag, : pyrosetta.rosetta.basic.datacache.DataMap) None ¶
parse XML (specifically in the context of the parser/scripting scheme)
C++: protocols::dna::DnaInterfaceMinMover::parse_my_tag(class std::shared_ptr<const class utility::tag::Tag>, class basic::datacache::DataMap &) –> void
- parse_opts(self: pyrosetta.rosetta.protocols.minimization_packing.MinMover, : pyrosetta.rosetta.utility.tag.Tag, data_map: pyrosetta.rosetta.basic.datacache.DataMap) None ¶
C++: protocols::minimization_packing::MinMover::parse_opts(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::dna::DnaInterfaceMinMover::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_from_interface(self: pyrosetta.rosetta.protocols.dna.DnaInterfaceMinMover) None ¶
C++: protocols::dna::DnaInterfaceMinMover::reset_from_interface() –> 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
- score_diff_after_minimization(self: pyrosetta.rosetta.protocols.minimization_packing.MinMover) float ¶
C++: protocols::minimization_packing::MinMover::score_diff_after_minimization() const –> double
- score_function(*args, **kwargs)¶
Overloaded function.
score_function(self: pyrosetta.rosetta.protocols.minimization_packing.MinMover, scorefxn_in: pyrosetta.rosetta.core.scoring.ScoreFunction) -> None
- Sets the ScoreFunction to <scorefxn_in>
determines which function to minimize
- example(s):
minmover.score_function(scorefxn)
- See also:
MinMover MinMover.apply MinMover.movemap ScoreFunction
C++: protocols::minimization_packing::MinMover::score_function(class std::shared_ptr<const class core::scoring::ScoreFunction>) –> void
score_function(self: pyrosetta.rosetta.protocols.minimization_packing.MinMover) -> pyrosetta.rosetta.core.scoring.ScoreFunction
C++: protocols::minimization_packing::MinMover::score_function() const –> class std::shared_ptr<const class core::scoring::ScoreFunction>
- 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.minimization_packing.MinMover, movemap_in: pyrosetta.rosetta.core.kinematics.MoveMap) None ¶
C++: protocols::minimization_packing::MinMover::set_movemap(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_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.minimization_packing.MinMover) -> None
show(self: pyrosetta.rosetta.protocols.minimization_packing.MinMover, output: pyrosetta.rosetta.std.ostream) -> None
C++: protocols::minimization_packing::MinMover::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
- tolerance(*args, **kwargs)¶
Overloaded function.
tolerance(self: pyrosetta.rosetta.protocols.minimization_packing.MinMover, tolerance_in: float) -> None
C++: protocols::minimization_packing::MinMover::tolerance(double) –> void
tolerance(self: pyrosetta.rosetta.protocols.minimization_packing.MinMover) -> float
C++: protocols::minimization_packing::MinMover::tolerance() const –> double
- 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.dna.DnaInterfaceMinMoverCreator¶
Bases:
MoverCreator
- assign(self: pyrosetta.rosetta.protocols.dna.DnaInterfaceMinMoverCreator, : pyrosetta.rosetta.protocols.dna.DnaInterfaceMinMoverCreator) pyrosetta.rosetta.protocols.dna.DnaInterfaceMinMoverCreator ¶
C++: protocols::dna::DnaInterfaceMinMoverCreator::operator=(const class protocols::dna::DnaInterfaceMinMoverCreator &) –> class protocols::dna::DnaInterfaceMinMoverCreator &
- create_mover(self: pyrosetta.rosetta.protocols.dna.DnaInterfaceMinMoverCreator) pyrosetta.rosetta.protocols.moves.Mover ¶
C++: protocols::dna::DnaInterfaceMinMoverCreator::create_mover() const –> class std::shared_ptr<class protocols::moves::Mover>
- keyname(self: pyrosetta.rosetta.protocols.dna.DnaInterfaceMinMoverCreator) str ¶
C++: protocols::dna::DnaInterfaceMinMoverCreator::keyname() const –> std::string
- class pyrosetta.rosetta.protocols.dna.DnaInterfaceMultiStateDesign¶
Bases:
PackRotamersMover
wraps DNA-interface specific considerations around the general multistate design / genetic algorithm framework
- apply(self: pyrosetta.rosetta.protocols.dna.DnaInterfaceMultiStateDesign, : pyrosetta.rosetta.core.pose.Pose) None ¶
C++: protocols::dna::DnaInterfaceMultiStateDesign::apply(class core::pose::Pose &) –> void
- assign(self: pyrosetta.rosetta.protocols.dna.DnaInterfaceMultiStateDesign, : pyrosetta.rosetta.protocols.dna.DnaInterfaceMultiStateDesign) pyrosetta.rosetta.protocols.dna.DnaInterfaceMultiStateDesign ¶
C++: protocols::dna::DnaInterfaceMultiStateDesign::operator=(const class protocols::dna::DnaInterfaceMultiStateDesign &) –> class protocols::dna::DnaInterfaceMultiStateDesign &
- 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.dna.DnaInterfaceMultiStateDesign) pyrosetta.rosetta.protocols.moves.Mover ¶
required in the context of the parser/scripting scheme
C++: protocols::dna::DnaInterfaceMultiStateDesign::clone() const –> class std::shared_ptr<class protocols::moves::Mover>
- static complex_type_generator_for_pack_rotamers_mover(xsd: utility::tag::XMLSchemaDefinition) utility::tag::XMLSchemaComplexTypeGenerator ¶
C++: protocols::minimization_packing::PackRotamersMover::complex_type_generator_for_pack_rotamers_mover(class utility::tag::XMLSchemaDefinition &) –> class std::shared_ptr<class utility::tag::XMLSchemaComplexTypeGenerator>
- copy_dna_chains(self: pyrosetta.rosetta.protocols.dna.DnaInterfaceMultiStateDesign, : pyrosetta.rosetta.protocols.dna.DnaChains) None ¶
C++: protocols::dna::DnaInterfaceMultiStateDesign::copy_dna_chains(class std::shared_ptr<class protocols::dna::DnaChains>) –> void
- copy_targeted_dna(self: pyrosetta.rosetta.protocols.dna.DnaInterfaceMultiStateDesign, : pyrosetta.rosetta.utility.vector1_std_shared_ptr_protocols_dna_DnaDesignDef_t) None ¶
C++: protocols::dna::DnaInterfaceMultiStateDesign::copy_targeted_dna(const class utility::vector1<class std::shared_ptr<class protocols::dna::DnaDesignDef>, class std::allocator<class std::shared_ptr<class protocols::dna::DnaDesignDef> > > &) –> 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>
- fresh_instance(self: pyrosetta.rosetta.protocols.dna.DnaInterfaceMultiStateDesign) pyrosetta.rosetta.protocols.moves.Mover ¶
required in the context of the parser/scripting scheme
C++: protocols::dna::DnaInterfaceMultiStateDesign::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.dna.DnaInterfaceMultiStateDesign) str ¶
C++: protocols::dna::DnaInterfaceMultiStateDesign::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_task_factory_with_operations(self: pyrosetta.rosetta.protocols.minimization_packing.PackRotamersMover, : pyrosetta.rosetta.std.list_std_shared_ptr_core_pack_task_operation_TaskOperation_t) None ¶
C++: protocols::minimization_packing::PackRotamersMover::initialize_task_factory_with_operations(const class std::list<class std::shared_ptr<class core::pack::task::operation::TaskOperation>, class std::allocator<class std::shared_ptr<class core::pack::task::operation::TaskOperation> > > &) –> void
- last_proposal_density_ratio(self: pyrosetta.rosetta.protocols.moves.Mover) float ¶
C++: protocols::moves::Mover::last_proposal_density_ratio() –> double
- static list_options_read(opts: pyrosetta.rosetta.std.list_utility_keys_VariantKey_utility_options_OptionKey_t) None ¶
C++: protocols::minimization_packing::PackRotamersMover::list_options_read(class std::list<class utility::keys::VariantKey<class utility::options::OptionKey>, class std::allocator<class utility::keys::VariantKey<class utility::options::OptionKey> > > &) –> void
- static mover_name() str ¶
C++: protocols::dna::DnaInterfaceMultiStateDesign::mover_name() –> std::string
- static name() str ¶
C++: protocols::moves::Mover::name() –> std::string
- nloop(*args, **kwargs)¶
Overloaded function.
nloop(self: pyrosetta.rosetta.protocols.minimization_packing.PackRotamersMover, nloop_in: int) -> None
C++: protocols::minimization_packing::PackRotamersMover::nloop(unsigned long) –> void
nloop(self: pyrosetta.rosetta.protocols.minimization_packing.PackRotamersMover) -> int
C++: protocols::minimization_packing::PackRotamersMover::nloop() const –> unsigned long
- output_results(self: pyrosetta.rosetta.protocols.dna.DnaInterfaceMultiStateDesign, : pyrosetta.rosetta.core.pose.Pose) None ¶
C++: protocols::dna::DnaInterfaceMultiStateDesign::output_results(class core::pose::Pose &) –> void
- parse_my_tag(self: pyrosetta.rosetta.protocols.dna.DnaInterfaceMultiStateDesign, : pyrosetta.rosetta.utility.tag.Tag, : pyrosetta.rosetta.basic.datacache.DataMap) None ¶
parse XML (specifically in the context of the parser/scripting scheme)
C++: protocols::dna::DnaInterfaceMultiStateDesign::parse_my_tag(class std::shared_ptr<const class utility::tag::Tag>, class basic::datacache::DataMap &) –> void
- parse_score_function(self: pyrosetta.rosetta.protocols.minimization_packing.PackRotamersMover, : pyrosetta.rosetta.utility.tag.Tag, : pyrosetta.rosetta.basic.datacache.DataMap) None ¶
parse “scorefxn” XML option (can be employed virtually by derived Packing movers)
C++: protocols::minimization_packing::PackRotamersMover::parse_score_function(class std::shared_ptr<const class utility::tag::Tag>, const class basic::datacache::DataMap &) –> void
- parse_task_operations(self: pyrosetta.rosetta.protocols.minimization_packing.PackRotamersMover, : pyrosetta.rosetta.utility.tag.Tag, : pyrosetta.rosetta.basic.datacache.DataMap) None ¶
parse “task_operations” XML option (can be employed virtually by derived Packing movers)
C++: protocols::minimization_packing::PackRotamersMover::parse_task_operations(class std::shared_ptr<const class utility::tag::Tag>, const 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::dna::DnaInterfaceMultiStateDesign::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
- rotamer_sets(self: pyrosetta.rosetta.protocols.minimization_packing.PackRotamersMover) pyrosetta.rosetta.core.pack.rotamer_set.RotamerSets ¶
Returns the RotamerSets object being used for packing
This is only valid after a call to setup or apply.
C++: protocols::minimization_packing::PackRotamersMover::rotamer_sets() const –> class std::shared_ptr<const class core::pack::rotamer_set::RotamerSets>
- score_function(*args, **kwargs)¶
Overloaded function.
score_function(self: pyrosetta.rosetta.protocols.minimization_packing.PackRotamersMover, sf: pyrosetta.rosetta.core.scoring.ScoreFunction) -> None
Sets the ScoreFunction to <sf>
- example(s):
packmover.score_function(scorefxn)
- See Also:
PackRotamersMover PackRotamersMover.task
C++: protocols::minimization_packing::PackRotamersMover::score_function(class std::shared_ptr<const class core::scoring::ScoreFunction>) –> void
score_function(self: pyrosetta.rosetta.protocols.minimization_packing.PackRotamersMover) -> pyrosetta.rosetta.core.scoring.ScoreFunction
Returns the ScoreFunction
- example(s):
packmover.score_function()
- See Also:
PackRotamersMover PackRotamersMover.task
C++: protocols::minimization_packing::PackRotamersMover::score_function() const –> class std::shared_ptr<const class core::scoring::ScoreFunction>
- set_annealer_observer(self: pyrosetta.rosetta.protocols.minimization_packing.PackRotamersMover, observer: pyrosetta.rosetta.core.pack.annealer.AnnealerObserver) None ¶
C++: protocols::minimization_packing::PackRotamersMover::set_annealer_observer(class std::shared_ptr<class core::pack::annealer::AnnealerObserver>) –> 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.minimization_packing.PackRotamersMover) -> None
show(self: pyrosetta.rosetta.protocols.minimization_packing.PackRotamersMover, output: pyrosetta.rosetta.std.ostream) -> None
C++: protocols::minimization_packing::PackRotamersMover::show(std::ostream &) const –> void
- task(*args, **kwargs)¶
Overloaded function.
task(self: pyrosetta.rosetta.protocols.minimization_packing.PackRotamersMover, t: pyrosetta.rosetta.core.pack.task.PackerTask) -> None
Sets the PackerTask to <t>
- example(s):
packmover.task(task_pack)
- See Also:
PackRotamersMover PackRotamersMover.task_factory
C++: protocols::minimization_packing::PackRotamersMover::task(class std::shared_ptr<const class core::pack::task::PackerTask>) –> void
task(self: pyrosetta.rosetta.protocols.minimization_packing.PackRotamersMover) -> pyrosetta.rosetta.core.pack.task.PackerTask
Returns the PackerTask
- example(s):
packmover.task()
- See Also:
PackRotamersMover PackRotamersMover.task_factory
C++: protocols::minimization_packing::PackRotamersMover::task() const –> class std::shared_ptr<const class core::pack::task::PackerTask>
- task_factory(*args, **kwargs)¶
Overloaded function.
task_factory(self: pyrosetta.rosetta.protocols.minimization_packing.PackRotamersMover, tf: pyrosetta.rosetta.core.pack.task.TaskFactory) -> None
Sets the TaskFactory to <tf>
- example(s):
packmover.task_factory(task_design)
- See Also:
PackRotamersMover PackRotamersMover.task
C++: protocols::minimization_packing::PackRotamersMover::task_factory(class std::shared_ptr<const class core::pack::task::TaskFactory>) –> void
task_factory(self: pyrosetta.rosetta.protocols.minimization_packing.PackRotamersMover) -> pyrosetta.rosetta.core.pack.task.TaskFactory
Returns the TaskFactory
- example(s):
packmover.task_factory()
- See Also:
PackRotamersMover PackRotamersMover.task
C++: protocols::minimization_packing::PackRotamersMover::task_factory() const –> class std::shared_ptr<const class core::pack::task::TaskFactory>
- task_is_valid(self: pyrosetta.rosetta.protocols.minimization_packing.PackRotamersMover, pose: pyrosetta.rosetta.core.pose.Pose) bool ¶
C++: protocols::minimization_packing::PackRotamersMover::task_is_valid(const class core::pose::Pose &) const –> bool
- test_move(self: pyrosetta.rosetta.protocols.moves.Mover, pose: pyrosetta.rosetta.core.pose.Pose) None ¶
- : Unit test support function. Apply one move to a given pose.
Allows extra test specific functions to be called before applying
C++: protocols::moves::Mover::test_move(class core::pose::Pose &) –> void
- 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.dna.DnaInterfaceMultiStateDesignCreator¶
Bases:
MoverCreator
- assign(self: pyrosetta.rosetta.protocols.dna.DnaInterfaceMultiStateDesignCreator, : pyrosetta.rosetta.protocols.dna.DnaInterfaceMultiStateDesignCreator) pyrosetta.rosetta.protocols.dna.DnaInterfaceMultiStateDesignCreator ¶
C++: protocols::dna::DnaInterfaceMultiStateDesignCreator::operator=(const class protocols::dna::DnaInterfaceMultiStateDesignCreator &) –> class protocols::dna::DnaInterfaceMultiStateDesignCreator &
- create_mover(self: pyrosetta.rosetta.protocols.dna.DnaInterfaceMultiStateDesignCreator) pyrosetta.rosetta.protocols.moves.Mover ¶
C++: protocols::dna::DnaInterfaceMultiStateDesignCreator::create_mover() const –> class std::shared_ptr<class protocols::moves::Mover>
- keyname(self: pyrosetta.rosetta.protocols.dna.DnaInterfaceMultiStateDesignCreator) str ¶
C++: protocols::dna::DnaInterfaceMultiStateDesignCreator::keyname() const –> std::string
- class pyrosetta.rosetta.protocols.dna.DnaInterfacePacker¶
Bases:
PackRotamersMover
- allowed_types(self: pyrosetta.rosetta.protocols.dna.DnaInterfacePacker) str ¶
C++: protocols::dna::DnaInterfacePacker::allowed_types() const –> std::string
- apply(self: pyrosetta.rosetta.protocols.dna.DnaInterfacePacker, : pyrosetta.rosetta.core.pose.Pose) None ¶
C++: protocols::dna::DnaInterfacePacker::apply(class core::pose::Pose &) –> void
- assign(self: pyrosetta.rosetta.protocols.dna.DnaInterfacePacker, : pyrosetta.rosetta.protocols.dna.DnaInterfacePacker) pyrosetta.rosetta.protocols.dna.DnaInterfacePacker ¶
C++: protocols::dna::DnaInterfacePacker::operator=(const class protocols::dna::DnaInterfacePacker &) –> class protocols::dna::DnaInterfacePacker &
- 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_initialization(self: pyrosetta.rosetta.protocols.dna.DnaInterfacePacker) None ¶
C++: protocols::dna::DnaInterfacePacker::clear_initialization() –> void
- clone(self: pyrosetta.rosetta.protocols.dna.DnaInterfacePacker) pyrosetta.rosetta.protocols.moves.Mover ¶
C++: protocols::dna::DnaInterfacePacker::clone() const –> class std::shared_ptr<class protocols::moves::Mover>
- static complex_type_generator_for_pack_rotamers_mover(xsd: utility::tag::XMLSchemaDefinition) utility::tag::XMLSchemaComplexTypeGenerator ¶
C++: protocols::minimization_packing::PackRotamersMover::complex_type_generator_for_pack_rotamers_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>
- current_dna_design_string(self: pyrosetta.rosetta.protocols.dna.DnaInterfacePacker, : pyrosetta.rosetta.core.pose.Pose) str ¶
C++: protocols::dna::DnaInterfacePacker::current_dna_design_string(const class core::pose::Pose &) const –> std::string
- current_working_sequence(self: pyrosetta.rosetta.protocols.dna.DnaInterfacePacker, : pyrosetta.rosetta.core.pose.Pose) pyrosetta.rosetta.std.map_unsigned_long_std_shared_ptr_const_core_chemical_ResidueType_t_std_allocator_std_pair_const_unsigned_long_std_shared_ptr_const_core_chemical_ResidueType_t ¶
C++: protocols::dna::DnaInterfacePacker::current_working_sequence(const class core::pose::Pose &) const –> class std::map<unsigned long, class std::shared_ptr<const class core::chemical::ResidueType>, struct std::less<unsigned long>, class std::allocator<struct std::pair<const unsigned long, class std::shared_ptr<const class core::chemical::ResidueType> > > >
- dna_seq_tag(self: pyrosetta.rosetta.protocols.dna.DnaInterfacePacker, : pyrosetta.rosetta.core.pose.Pose, : pyrosetta.rosetta.std.map_unsigned_long_std_shared_ptr_const_core_chemical_ResidueType_t_std_allocator_std_pair_const_unsigned_long_std_shared_ptr_const_core_chemical_ResidueType_t) str ¶
C++: protocols::dna::DnaInterfacePacker::dna_seq_tag(const class core::pose::Pose &, const class std::map<unsigned long, class std::shared_ptr<const class core::chemical::ResidueType>, struct std::less<unsigned long>, class std::allocator<struct std::pair<const unsigned long, class std::shared_ptr<const class core::chemical::ResidueType> > > > &) const –> std::string
- fresh_instance(self: pyrosetta.rosetta.protocols.dna.DnaInterfacePacker) pyrosetta.rosetta.protocols.moves.Mover ¶
C++: protocols::dna::DnaInterfacePacker::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.dna.DnaInterfacePacker) str ¶
C++: protocols::dna::DnaInterfacePacker::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_targeted_sequence(self: pyrosetta.rosetta.protocols.dna.DnaInterfacePacker, : pyrosetta.rosetta.core.pose.Pose) pyrosetta.rosetta.std.map_unsigned_long_std_shared_ptr_const_core_chemical_ResidueType_t_std_allocator_std_pair_const_unsigned_long_std_shared_ptr_const_core_chemical_ResidueType_t ¶
C++: protocols::dna::DnaInterfacePacker::get_targeted_sequence(const class core::pose::Pose &) const –> class std::map<unsigned long, class std::shared_ptr<const class core::chemical::ResidueType>, struct std::less<unsigned long>, class std::allocator<struct std::pair<const unsigned long, class std::shared_ptr<const class core::chemical::ResidueType> > > >
- 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_task_factory_with_operations(self: pyrosetta.rosetta.protocols.minimization_packing.PackRotamersMover, : pyrosetta.rosetta.std.list_std_shared_ptr_core_pack_task_operation_TaskOperation_t) None ¶
C++: protocols::minimization_packing::PackRotamersMover::initialize_task_factory_with_operations(const class std::list<class std::shared_ptr<class core::pack::task::operation::TaskOperation>, class std::allocator<class std::shared_ptr<class core::pack::task::operation::TaskOperation> > > &) –> void
- initialized(self: pyrosetta.rosetta.protocols.dna.DnaInterfacePacker) bool ¶
C++: protocols::dna::DnaInterfacePacker::initialized() const –> bool
- last_proposal_density_ratio(self: pyrosetta.rosetta.protocols.moves.Mover) float ¶
C++: protocols::moves::Mover::last_proposal_density_ratio() –> double
- static list_options_read(opts: pyrosetta.rosetta.std.list_utility_keys_VariantKey_utility_options_OptionKey_t) None ¶
C++: protocols::minimization_packing::PackRotamersMover::list_options_read(class std::list<class utility::keys::VariantKey<class utility::options::OptionKey>, class std::allocator<class utility::keys::VariantKey<class utility::options::OptionKey> > > &) –> void
- measure_bp_specificities(self: pyrosetta.rosetta.protocols.dna.DnaInterfacePacker, : pyrosetta.rosetta.core.pose.Pose) Tuple[std::map<std::map<unsigned long, std::shared_ptr<core::chemical::ResidueType const>, std::less<unsigned long>, std::allocator<std::pair<unsigned long const, std::shared_ptr<core::chemical::ResidueType const> > > >, double, protocols::dna::ResTypeSequence_lt, std::allocator<std::pair<std::map<unsigned long, std::shared_ptr<core::chemical::ResidueType const>, std::less<unsigned long>, std::allocator<std::pair<unsigned long const, std::shared_ptr<core::chemical::ResidueType const> > > > const, double> > >, std::map<std::map<unsigned long, std::shared_ptr<core::chemical::ResidueType const>, std::less<unsigned long>, std::allocator<std::pair<unsigned long const, std::shared_ptr<core::chemical::ResidueType const> > > >, double, protocols::dna::ResTypeSequence_lt, std::allocator<std::pair<std::map<unsigned long, std::shared_ptr<core::chemical::ResidueType const>, std::less<unsigned long>, std::allocator<std::pair<unsigned long const, std::shared_ptr<core::chemical::ResidueType const> > > > const, double> > >] ¶
C++: protocols::dna::DnaInterfacePacker::measure_bp_specificities(class core::pose::Pose &) –> struct std::pair<class std::map<class std::map<unsigned long, class std::shared_ptr<const class core::chemical::ResidueType>, struct std::less<unsigned long>, class std::allocator<struct std::pair<const unsigned long, class std::shared_ptr<const class core::chemical::ResidueType> > > >, double, class protocols::dna::ResTypeSequence_lt, class std::allocator<struct std::pair<const class std::map<unsigned long, class std::shared_ptr<const class core::chemical::ResidueType>, struct std::less<unsigned long>, class std::allocator<struct std::pair<const unsigned long, class std::shared_ptr<const class core::chemical::ResidueType> > > >, double> > >, class std::map<class std::map<unsigned long, class std::shared_ptr<const class core::chemical::ResidueType>, struct std::less<unsigned long>, class std::allocator<struct std::pair<const unsigned long, class std::shared_ptr<const class core::chemical::ResidueType> > > >, double, class protocols::dna::ResTypeSequence_lt, class std::allocator<struct std::pair<const class std::map<unsigned long, class std::shared_ptr<const class core::chemical::ResidueType>, struct std::less<unsigned long>, class std::allocator<struct std::pair<const unsigned long, class std::shared_ptr<const class core::chemical::ResidueType> > > >, double> > > >
- measure_specificities(self: pyrosetta.rosetta.protocols.dna.DnaInterfacePacker, : pyrosetta.rosetta.core.pose.Pose, : pyrosetta.rosetta.utility.vector1_std_map_unsigned_long_std_shared_ptr_const_core_chemical_ResidueType_std_less_unsigned_long_std_allocator_std_pair_const_unsigned_long_std_shared_ptr_const_core_chemical_ResidueType_t) Tuple[std::map<std::map<unsigned long, std::shared_ptr<core::chemical::ResidueType const>, std::less<unsigned long>, std::allocator<std::pair<unsigned long const, std::shared_ptr<core::chemical::ResidueType const> > > >, double, protocols::dna::ResTypeSequence_lt, std::allocator<std::pair<std::map<unsigned long, std::shared_ptr<core::chemical::ResidueType const>, std::less<unsigned long>, std::allocator<std::pair<unsigned long const, std::shared_ptr<core::chemical::ResidueType const> > > > const, double> > >, std::map<std::map<unsigned long, std::shared_ptr<core::chemical::ResidueType const>, std::less<unsigned long>, std::allocator<std::pair<unsigned long const, std::shared_ptr<core::chemical::ResidueType const> > > >, double, protocols::dna::ResTypeSequence_lt, std::allocator<std::pair<std::map<unsigned long, std::shared_ptr<core::chemical::ResidueType const>, std::less<unsigned long>, std::allocator<std::pair<unsigned long const, std::shared_ptr<core::chemical::ResidueType const> > > > const, double> > >] ¶
C++: protocols::dna::DnaInterfacePacker::measure_specificities(class core::pose::Pose &, const class utility::vector1<class std::map<unsigned long, class std::shared_ptr<const class core::chemical::ResidueType>, struct std::less<unsigned long>, class std::allocator<struct std::pair<const unsigned long, class std::shared_ptr<const class core::chemical::ResidueType> > > >, class std::allocator<class std::map<unsigned long, class std::shared_ptr<const class core::chemical::ResidueType>, struct std::less<unsigned long>, class std::allocator<struct std::pair<const unsigned long, class std::shared_ptr<const class core::chemical::ResidueType> > > > > > &) –> struct std::pair<class std::map<class std::map<unsigned long, class std::shared_ptr<const class core::chemical::ResidueType>, struct std::less<unsigned long>, class std::allocator<struct std::pair<const unsigned long, class std::shared_ptr<const class core::chemical::ResidueType> > > >, double, class protocols::dna::ResTypeSequence_lt, class std::allocator<struct std::pair<const class std::map<unsigned long, class std::shared_ptr<const class core::chemical::ResidueType>, struct std::less<unsigned long>, class std::allocator<struct std::pair<const unsigned long, class std::shared_ptr<const class core::chemical::ResidueType> > > >, double> > >, class std::map<class std::map<unsigned long, class std::shared_ptr<const class core::chemical::ResidueType>, struct std::less<unsigned long>, class std::allocator<struct std::pair<const unsigned long, class std::shared_ptr<const class core::chemical::ResidueType> > > >, double, class protocols::dna::ResTypeSequence_lt, class std::allocator<struct std::pair<const class std::map<unsigned long, class std::shared_ptr<const class core::chemical::ResidueType>, struct std::less<unsigned long>, class std::allocator<struct std::pair<const unsigned long, class std::shared_ptr<const class core::chemical::ResidueType> > > >, double> > > >
- measure_specificity(self: pyrosetta.rosetta.protocols.dna.DnaInterfacePacker, : pyrosetta.rosetta.core.pose.Pose) Tuple[float, float] ¶
C++: protocols::dna::DnaInterfacePacker::measure_specificity(class core::pose::Pose &) –> struct std::pair<double, double>
- static mover_name() str ¶
C++: protocols::dna::DnaInterfacePacker::mover_name() –> std::string
- static name() str ¶
C++: protocols::moves::Mover::name() –> std::string
- nloop(*args, **kwargs)¶
Overloaded function.
nloop(self: pyrosetta.rosetta.protocols.minimization_packing.PackRotamersMover, nloop_in: int) -> None
C++: protocols::minimization_packing::PackRotamersMover::nloop(unsigned long) –> void
nloop(self: pyrosetta.rosetta.protocols.minimization_packing.PackRotamersMover) -> int
C++: protocols::minimization_packing::PackRotamersMover::nloop() const –> unsigned long
- parse_my_tag(self: pyrosetta.rosetta.protocols.dna.DnaInterfacePacker, : pyrosetta.rosetta.utility.tag.Tag, : pyrosetta.rosetta.basic.datacache.DataMap) None ¶
parse XML (specifically in the context of the parser/scripting scheme)
C++: protocols::dna::DnaInterfacePacker::parse_my_tag(class std::shared_ptr<const class utility::tag::Tag>, class basic::datacache::DataMap &) –> void
- parse_score_function(self: pyrosetta.rosetta.protocols.minimization_packing.PackRotamersMover, : pyrosetta.rosetta.utility.tag.Tag, : pyrosetta.rosetta.basic.datacache.DataMap) None ¶
parse “scorefxn” XML option (can be employed virtually by derived Packing movers)
C++: protocols::minimization_packing::PackRotamersMover::parse_score_function(class std::shared_ptr<const class utility::tag::Tag>, const class basic::datacache::DataMap &) –> void
- parse_task_operations(self: pyrosetta.rosetta.protocols.minimization_packing.PackRotamersMover, : pyrosetta.rosetta.utility.tag.Tag, : pyrosetta.rosetta.basic.datacache.DataMap) None ¶
parse “task_operations” XML option (can be employed virtually by derived Packing movers)
C++: protocols::minimization_packing::PackRotamersMover::parse_task_operations(class std::shared_ptr<const class utility::tag::Tag>, const class basic::datacache::DataMap &) –> void
- pdbname(self: pyrosetta.rosetta.protocols.dna.DnaInterfacePacker) str ¶
C++: protocols::dna::DnaInterfacePacker::pdbname() –> std::string
- pdboutput(self: pyrosetta.rosetta.protocols.dna.DnaInterfacePacker, : protocols::dna::PDBOutput) None ¶
C++: protocols::dna::DnaInterfacePacker::pdboutput(class std::shared_ptr<class protocols::dna::PDBOutput>) –> 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::dna::DnaInterfacePacker::provide_xml_schema(class utility::tag::XMLSchemaDefinition &) –> void
- reference_pose(*args, **kwargs)¶
Overloaded function.
reference_pose(self: pyrosetta.rosetta.protocols.dna.DnaInterfacePacker, : pyrosetta.rosetta.core.pose.Pose) -> None
C++: protocols::dna::DnaInterfacePacker::reference_pose(const class core::pose::Pose &) –> void
reference_pose(self: pyrosetta.rosetta.protocols.dna.DnaInterfacePacker) -> pyrosetta.rosetta.core.pose.Pose
C++: protocols::dna::DnaInterfacePacker::reference_pose() const –> class std::shared_ptr<const class core::pose::Pose>
- 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
- reversion_scan(*args, **kwargs)¶
Overloaded function.
reversion_scan(self: pyrosetta.rosetta.protocols.dna.DnaInterfacePacker, : pyrosetta.rosetta.core.pose.Pose) -> None
reversion_scan(self: pyrosetta.rosetta.protocols.dna.DnaInterfacePacker, : pyrosetta.rosetta.core.pose.Pose, bound_score: float) -> None
reversion_scan(self: pyrosetta.rosetta.protocols.dna.DnaInterfacePacker, : pyrosetta.rosetta.core.pose.Pose, bound_score: float, binding_score: float) -> None
reversion_scan(self: pyrosetta.rosetta.protocols.dna.DnaInterfacePacker, : pyrosetta.rosetta.core.pose.Pose, bound_score: float, binding_score: float, specificities: Tuple[float, float]) -> None
C++: protocols::dna::DnaInterfacePacker::reversion_scan(class core::pose::Pose &, double, double, struct std::pair<double, double>) –> void
- rotamer_sets(self: pyrosetta.rosetta.protocols.minimization_packing.PackRotamersMover) pyrosetta.rosetta.core.pack.rotamer_set.RotamerSets ¶
Returns the RotamerSets object being used for packing
This is only valid after a call to setup or apply.
C++: protocols::minimization_packing::PackRotamersMover::rotamer_sets() const –> class std::shared_ptr<const class core::pack::rotamer_set::RotamerSets>
- score_function(*args, **kwargs)¶
Overloaded function.
score_function(self: pyrosetta.rosetta.protocols.minimization_packing.PackRotamersMover, sf: pyrosetta.rosetta.core.scoring.ScoreFunction) -> None
Sets the ScoreFunction to <sf>
- example(s):
packmover.score_function(scorefxn)
- See Also:
PackRotamersMover PackRotamersMover.task
C++: protocols::minimization_packing::PackRotamersMover::score_function(class std::shared_ptr<const class core::scoring::ScoreFunction>) –> void
score_function(self: pyrosetta.rosetta.protocols.minimization_packing.PackRotamersMover) -> pyrosetta.rosetta.core.scoring.ScoreFunction
Returns the ScoreFunction
- example(s):
packmover.score_function()
- See Also:
PackRotamersMover PackRotamersMover.task
C++: protocols::minimization_packing::PackRotamersMover::score_function() const –> class std::shared_ptr<const class core::scoring::ScoreFunction>
- set_annealer_observer(self: pyrosetta.rosetta.protocols.minimization_packing.PackRotamersMover, observer: pyrosetta.rosetta.core.pack.annealer.AnnealerObserver) None ¶
C++: protocols::minimization_packing::PackRotamersMover::set_annealer_observer(class std::shared_ptr<class core::pack::annealer::AnnealerObserver>) –> 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_filename_root(self: pyrosetta.rosetta.protocols.dna.DnaInterfacePacker, name: str) None ¶
C++: protocols::dna::DnaInterfacePacker::set_filename_root(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.minimization_packing.PackRotamersMover) -> None
show(self: pyrosetta.rosetta.protocols.minimization_packing.PackRotamersMover, output: pyrosetta.rosetta.std.ostream) -> None
C++: protocols::minimization_packing::PackRotamersMover::show(std::ostream &) const –> void
- targeted_dna(*args, **kwargs)¶
Overloaded function.
targeted_dna(self: pyrosetta.rosetta.protocols.dna.DnaInterfacePacker, : pyrosetta.rosetta.utility.vector1_std_shared_ptr_protocols_dna_DnaDesignDef_t) -> None
C++: protocols::dna::DnaInterfacePacker::targeted_dna(const class utility::vector1<class std::shared_ptr<class protocols::dna::DnaDesignDef>, class std::allocator<class std::shared_ptr<class protocols::dna::DnaDesignDef> > > &) –> void
targeted_dna(self: pyrosetta.rosetta.protocols.dna.DnaInterfacePacker) -> pyrosetta.rosetta.utility.vector1_std_shared_ptr_protocols_dna_DnaDesignDef_t
C++: protocols::dna::DnaInterfacePacker::targeted_dna() const –> const class utility::vector1<class std::shared_ptr<class protocols::dna::DnaDesignDef>, class std::allocator<class std::shared_ptr<class protocols::dna::DnaDesignDef> > > &
- task(*args, **kwargs)¶
Overloaded function.
task(self: pyrosetta.rosetta.protocols.minimization_packing.PackRotamersMover, t: pyrosetta.rosetta.core.pack.task.PackerTask) -> None
Sets the PackerTask to <t>
- example(s):
packmover.task(task_pack)
- See Also:
PackRotamersMover PackRotamersMover.task_factory
C++: protocols::minimization_packing::PackRotamersMover::task(class std::shared_ptr<const class core::pack::task::PackerTask>) –> void
task(self: pyrosetta.rosetta.protocols.minimization_packing.PackRotamersMover) -> pyrosetta.rosetta.core.pack.task.PackerTask
Returns the PackerTask
- example(s):
packmover.task()
- See Also:
PackRotamersMover PackRotamersMover.task_factory
C++: protocols::minimization_packing::PackRotamersMover::task() const –> class std::shared_ptr<const class core::pack::task::PackerTask>
- task_factory(*args, **kwargs)¶
Overloaded function.
task_factory(self: pyrosetta.rosetta.protocols.minimization_packing.PackRotamersMover, tf: pyrosetta.rosetta.core.pack.task.TaskFactory) -> None
Sets the TaskFactory to <tf>
- example(s):
packmover.task_factory(task_design)
- See Also:
PackRotamersMover PackRotamersMover.task
C++: protocols::minimization_packing::PackRotamersMover::task_factory(class std::shared_ptr<const class core::pack::task::TaskFactory>) –> void
task_factory(self: pyrosetta.rosetta.protocols.minimization_packing.PackRotamersMover) -> pyrosetta.rosetta.core.pack.task.TaskFactory
Returns the TaskFactory
- example(s):
packmover.task_factory()
- See Also:
PackRotamersMover PackRotamersMover.task
C++: protocols::minimization_packing::PackRotamersMover::task_factory() const –> class std::shared_ptr<const class core::pack::task::TaskFactory>
- task_is_valid(self: pyrosetta.rosetta.protocols.minimization_packing.PackRotamersMover, pose: pyrosetta.rosetta.core.pose.Pose) bool ¶
C++: protocols::minimization_packing::PackRotamersMover::task_is_valid(const class core::pose::Pose &) const –> bool
- test_move(self: pyrosetta.rosetta.protocols.moves.Mover, pose: pyrosetta.rosetta.core.pose.Pose) None ¶
- : Unit test support function. Apply one move to a given pose.
Allows extra test specific functions to be called before applying
C++: protocols::moves::Mover::test_move(class core::pose::Pose &) –> void
- 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 &
- unbound_score(*args, **kwargs)¶
Overloaded function.
unbound_score(self: pyrosetta.rosetta.protocols.dna.DnaInterfacePacker, : pyrosetta.rosetta.core.pose.Pose) -> float
unbound_score(self: pyrosetta.rosetta.protocols.dna.DnaInterfacePacker, : pyrosetta.rosetta.core.pose.Pose, output_pdb: bool) -> float
unbound_score(self: pyrosetta.rosetta.protocols.dna.DnaInterfacePacker, : pyrosetta.rosetta.core.pose.Pose, output_pdb: bool, pdbname: str) -> float
C++: protocols::dna::DnaInterfacePacker::unbound_score(const class core::pose::Pose &, bool, std::string) –> double
- class pyrosetta.rosetta.protocols.dna.DnaInterfacePackerCreator¶
Bases:
MoverCreator
- assign(self: pyrosetta.rosetta.protocols.dna.DnaInterfacePackerCreator, : pyrosetta.rosetta.protocols.dna.DnaInterfacePackerCreator) pyrosetta.rosetta.protocols.dna.DnaInterfacePackerCreator ¶
C++: protocols::dna::DnaInterfacePackerCreator::operator=(const class protocols::dna::DnaInterfacePackerCreator &) –> class protocols::dna::DnaInterfacePackerCreator &
- create_mover(self: pyrosetta.rosetta.protocols.dna.DnaInterfacePackerCreator) pyrosetta.rosetta.protocols.moves.Mover ¶
C++: protocols::dna::DnaInterfacePackerCreator::create_mover() const –> class std::shared_ptr<class protocols::moves::Mover>
- keyname(self: pyrosetta.rosetta.protocols.dna.DnaInterfacePackerCreator) str ¶
C++: protocols::dna::DnaInterfacePackerCreator::keyname() const –> std::string
- class pyrosetta.rosetta.protocols.dna.DnaNeighbor¶
Bases:
pybind11_object
- close(*args, **kwargs)¶
Overloaded function.
close(self: pyrosetta.rosetta.protocols.dna.DnaNeighbor, val: bool) -> None
C++: protocols::dna::DnaNeighbor::close(bool) –> void
close(self: pyrosetta.rosetta.protocols.dna.DnaNeighbor) -> bool
C++: protocols::dna::DnaNeighbor::close() const –> bool
- contact(*args, **kwargs)¶
Overloaded function.
contact(self: pyrosetta.rosetta.protocols.dna.DnaNeighbor, val: bool) -> None
C++: protocols::dna::DnaNeighbor::contact(bool) –> void
contact(self: pyrosetta.rosetta.protocols.dna.DnaNeighbor) -> bool
C++: protocols::dna::DnaNeighbor::contact() const –> bool
- class pyrosetta.rosetta.protocols.dna.DnaPosition¶
Bases:
pybind11_object
- bottom(self: pyrosetta.rosetta.protocols.dna.DnaPosition) int ¶
C++: protocols::dna::DnaPosition::bottom() const –> unsigned long
- paired(self: pyrosetta.rosetta.protocols.dna.DnaPosition) bool ¶
C++: protocols::dna::DnaPosition::paired() const –> bool
- top(self: pyrosetta.rosetta.protocols.dna.DnaPosition) int ¶
C++: protocols::dna::DnaPosition::top() const –> unsigned long
- class pyrosetta.rosetta.protocols.dna.PDBOutput¶
Bases:
PDBJobOutputter
- add_evaluation(self: pyrosetta.rosetta.protocols.jd2.JobOutputter, : pyrosetta.rosetta.protocols.evaluation.PoseEvaluator) None ¶
////////////////////////////// evaluator interface ////////////////////////////////////////////
C++: protocols::jd2::JobOutputter::add_evaluation(class std::shared_ptr<class protocols::evaluation::PoseEvaluator>) –> void
- add_info(*args, **kwargs)¶
Overloaded function.
add_info(self: pyrosetta.rosetta.protocols.dna.PDBOutput, : str, : pyrosetta.rosetta.std.list_std_string_t) -> None
add_info(self: pyrosetta.rosetta.protocols.dna.PDBOutput, : str, : pyrosetta.rosetta.std.list_std_string_t, append: bool) -> None
C++: protocols::dna::PDBOutput::add_info(const std::string &, const class std::list<std::string, class std::allocator<std::string > > &, bool) –> void
- call_output_observers(self: pyrosetta.rosetta.protocols.jd2.JobOutputter, pose: pyrosetta.rosetta.core.pose.Pose, job: protocols::jd2::Job) None ¶
call all output_observers
C++: protocols::jd2::JobOutputter::call_output_observers(const class core::pose::Pose &, class std::shared_ptr<class protocols::jd2::Job>) const –> void
- clear_evaluators(self: pyrosetta.rosetta.protocols.jd2.JobOutputter) None ¶
C++: protocols::jd2::JobOutputter::clear_evaluators() –> void
- designed_residue(*args, **kwargs)¶
Overloaded function.
designed_residue(self: pyrosetta.rosetta.protocols.dna.PDBOutput, : int) -> None
designed_residue(self: pyrosetta.rosetta.protocols.dna.PDBOutput, : int, value: bool) -> None
C++: protocols::dna::PDBOutput::designed_residue(unsigned long, bool) –> void
- enabled(*args, **kwargs)¶
Overloaded function.
enabled(self: pyrosetta.rosetta.protocols.dna.PDBOutput, value: bool) -> None
C++: protocols::dna::PDBOutput::enabled(bool) const –> void
enabled(self: pyrosetta.rosetta.protocols.dna.PDBOutput) -> bool
C++: protocols::dna::PDBOutput::enabled() const –> bool
- evaluate(self: pyrosetta.rosetta.protocols.jd2.JobOutputter, pose: pyrosetta.rosetta.core.pose.Pose, tag: str, pss: pyrosetta.rosetta.core.io.silent.SilentStruct) None ¶
C++: protocols::jd2::JobOutputter::evaluate(class core::pose::Pose &, std::string, class core::io::silent::SilentStruct &) const –> void
- evaluators(self: pyrosetta.rosetta.protocols.jd2.JobOutputter) pyrosetta.rosetta.protocols.evaluation.MetaPoseEvaluator ¶
C++: protocols::jd2::JobOutputter::evaluators() const –> class std::shared_ptr<const class protocols::evaluation::MetaPoseEvaluator>
- file(self: pyrosetta.rosetta.protocols.jd2.FileJobOutputter, job: protocols::jd2::Job, data: str) None ¶
this function takes a string and writes it to disk (separately from Tracer output).
C++: protocols::jd2::FileJobOutputter::file(class std::shared_ptr<const class protocols::jd2::Job>, const std::string &) –> void
- filename(self: pyrosetta.rosetta.protocols.jd2.JobOutputter, : protocols::jd2::Job) str ¶
C++: protocols::jd2::JobOutputter::filename(class std::shared_ptr<const class protocols::jd2::Job>) const –> std::string
- final_pose(self: pyrosetta.rosetta.protocols.dna.PDBOutput, : protocols::jd2::Job, : pyrosetta.rosetta.core.pose.Pose, : str) None ¶
JobDistributor calls this method
C++: protocols::dna::PDBOutput::final_pose(class std::shared_ptr<class protocols::jd2::Job>, const class core::pose::Pose &, const std::string &) –> void
- flush(self: pyrosetta.rosetta.protocols.jd2.JobOutputter) None ¶
- this function is meant to be redefined in child classes to allow for flushing of memory buffers.
Here’s the long version: The SilentFileJobOutputter wanted to buffer output, but needed to guaruntee that the output would be flushed at end of runtime. The original implementation was to A) bend over backward to ensure that the destructor was run (JobOutputter lives inside static JobDistributor, which was previously not destructed because it’s static) and B) flush the buffers in the destructor. This caused a problem because the buffer-flushing tried to use the Tracers, which had already been destructed…boom crash.
New solution: re-forbid use of destructors within the static JobDistributor system, and create a flush function to force this stuff out. So here it is:
C++: protocols::jd2::JobOutputter::flush() –> void
- job_has_completed(self: pyrosetta.rosetta.protocols.jd2.wwPDBJobOutputter, job: protocols::jd2::Job) bool ¶
this function is not used for output, but it belongs here since it needs to check the same output locations as the class normally writes to. This class checks wherever output goes to see if the job’s expected output already exists (on disk or whatever). This is the most basic form of checkpointing. The base implementation looks for a pdb/cif with the job’s name already in existence.
C++: protocols::jd2::wwPDBJobOutputter::job_has_completed(class std::shared_ptr<const class protocols::jd2::Job>) –> bool
- note_designed_residues(self: pyrosetta.rosetta.protocols.dna.PDBOutput, : pyrosetta.rosetta.core.pack.task.PackerTask) None ¶
C++: protocols::dna::PDBOutput::note_designed_residues(class std::shared_ptr<const class core::pack::task::PackerTask>) –> void
- other_pose(*args, **kwargs)¶
Overloaded function.
other_pose(self: pyrosetta.rosetta.protocols.jd2.wwPDBJobOutputter, job: protocols::jd2::Job, pose: pyrosetta.rosetta.core.pose.Pose, tag: str) -> None
other_pose(self: pyrosetta.rosetta.protocols.jd2.wwPDBJobOutputter, job: protocols::jd2::Job, pose: pyrosetta.rosetta.core.pose.Pose, tag: str, copy_count: int) -> None
other_pose(self: pyrosetta.rosetta.protocols.jd2.wwPDBJobOutputter, job: protocols::jd2::Job, pose: pyrosetta.rosetta.core.pose.Pose, tag: str, copy_count: int, score_only: bool) -> None
this function is intended for saving mid-protocol poses; for example the final centroid structure in a combined centroid/fullatom protocol. This implementation will write a wwPDB-format file (plus scores). It calls a pure virtual so that child classes can write PDB or mmCIF format.
C++: protocols::jd2::wwPDBJobOutputter::other_pose(class std::shared_ptr<class protocols::jd2::Job>, const class core::pose::Pose &, const std::string &, int, bool) –> void
- output_name(self: pyrosetta.rosetta.protocols.jd2.wwPDBJobOutputter, job: protocols::jd2::Job) str ¶
this is the master function for determining the unique output identifier for a job
C++: protocols::jd2::wwPDBJobOutputter::output_name(class std::shared_ptr<const class protocols::jd2::Job>) –> std::string
- reference_pose(*args, **kwargs)¶
Overloaded function.
reference_pose(self: pyrosetta.rosetta.protocols.dna.PDBOutput, : pyrosetta.rosetta.core.pose.Pose) -> None
C++: protocols::dna::PDBOutput::reference_pose(const class core::pose::Pose &) –> void
reference_pose(self: pyrosetta.rosetta.protocols.dna.PDBOutput) -> pyrosetta.rosetta.core.pose.Pose
C++: protocols::dna::PDBOutput::reference_pose() const –> class std::shared_ptr<const class core::pose::Pose>
- remove_info(self: pyrosetta.rosetta.protocols.dna.PDBOutput, : str) bool ¶
C++: protocols::dna::PDBOutput::remove_info(const std::string &) –> bool
- residues_are_different(self: pyrosetta.rosetta.protocols.dna.PDBOutput, : pyrosetta.rosetta.core.conformation.Residue, : pyrosetta.rosetta.core.conformation.Residue) bool ¶
C++: protocols::dna::PDBOutput::residues_are_different(const class core::conformation::Residue &, const class core::conformation::Residue &) const –> bool
- score_function(*args, **kwargs)¶
Overloaded function.
score_function(self: pyrosetta.rosetta.protocols.dna.PDBOutput, sf: pyrosetta.rosetta.core.scoring.ScoreFunction) -> None
C++: protocols::dna::PDBOutput::score_function(const class core::scoring::ScoreFunction &) –> void
score_function(self: pyrosetta.rosetta.protocols.dna.PDBOutput) -> pyrosetta.rosetta.core.scoring.ScoreFunction
C++: protocols::dna::PDBOutput::score_function() const –> class std::shared_ptr<const class core::scoring::ScoreFunction>
- scorefile_name(self: pyrosetta.rosetta.protocols.jd2.FileJobOutputter) pyrosetta.rosetta.utility.file.FileName ¶
C++: protocols::jd2::FileJobOutputter::scorefile_name() –> const class utility::file::FileName &
- set_defaults(self: pyrosetta.rosetta.protocols.jd2.FileJobOutputter) None ¶
C++: protocols::jd2::FileJobOutputter::set_defaults() –> void
- set_evaluators(self: pyrosetta.rosetta.protocols.jd2.JobOutputter, : pyrosetta.rosetta.protocols.evaluation.MetaPoseEvaluator) None ¶
C++: protocols::jd2::JobOutputter::set_evaluators(const class protocols::evaluation::MetaPoseEvaluator &) –> void
- starting_pose(self: pyrosetta.rosetta.protocols.dna.PDBOutput, : pyrosetta.rosetta.core.pose.Pose) None ¶
C++: protocols::dna::PDBOutput::starting_pose(const class core::pose::Pose &) –> void
- write_scorefile(self: pyrosetta.rosetta.protocols.jd2.FileJobOutputter) bool ¶
C++: protocols::jd2::FileJobOutputter::write_scorefile() const –> bool
- class pyrosetta.rosetta.protocols.dna.PositionType¶
Bases:
pybind11_object
basic struct for remembering position/type information before/during/after design
- property designable¶
- property position¶
- property type¶
- class pyrosetta.rosetta.protocols.dna.ResTypeSequence_lt¶
Bases:
pybind11_object
- class pyrosetta.rosetta.protocols.dna.RestrictDesignToProteinDNAInterface¶
Bases:
TaskOperation
- apply(self: pyrosetta.rosetta.protocols.dna.RestrictDesignToProteinDNAInterface, pose: pyrosetta.rosetta.core.pose.Pose, ptask: pyrosetta.rosetta.core.pack.task.PackerTask) None ¶
C++: protocols::dna::RestrictDesignToProteinDNAInterface::apply(const class core::pose::Pose &, class core::pack::task::PackerTask &) const –> void
- assign(self: pyrosetta.rosetta.protocols.dna.RestrictDesignToProteinDNAInterface, : pyrosetta.rosetta.protocols.dna.RestrictDesignToProteinDNAInterface) pyrosetta.rosetta.protocols.dna.RestrictDesignToProteinDNAInterface ¶
C++: protocols::dna::RestrictDesignToProteinDNAInterface::operator=(const class protocols::dna::RestrictDesignToProteinDNAInterface &) –> class protocols::dna::RestrictDesignToProteinDNAInterface &
- base_only(self: pyrosetta.rosetta.protocols.dna.RestrictDesignToProteinDNAInterface) bool ¶
C++: protocols::dna::RestrictDesignToProteinDNAInterface::base_only() const –> bool
- clone(self: pyrosetta.rosetta.protocols.dna.RestrictDesignToProteinDNAInterface) pyrosetta.rosetta.core.pack.task.operation.TaskOperation ¶
C++: protocols::dna::RestrictDesignToProteinDNAInterface::clone() const –> class std::shared_ptr<class core::pack::task::operation::TaskOperation>
- copy_dna_chains(self: pyrosetta.rosetta.protocols.dna.RestrictDesignToProteinDNAInterface, chains: pyrosetta.rosetta.protocols.dna.DnaChains) None ¶
C++: protocols::dna::RestrictDesignToProteinDNAInterface::copy_dna_chains(class std::shared_ptr<const class protocols::dna::DnaChains>) –> void
- copy_interface(self: pyrosetta.rosetta.protocols.dna.RestrictDesignToProteinDNAInterface, interface: pyrosetta.rosetta.protocols.dna.DnaInterfaceFinder) None ¶
C++: protocols::dna::RestrictDesignToProteinDNAInterface::copy_interface(class std::shared_ptr<const class protocols::dna::DnaInterfaceFinder>) –> void
- copy_targeted_dna(self: pyrosetta.rosetta.protocols.dna.RestrictDesignToProteinDNAInterface, targeted_dna: pyrosetta.rosetta.utility.vector1_std_shared_ptr_protocols_dna_DnaDesignDef_t) None ¶
C++: protocols::dna::RestrictDesignToProteinDNAInterface::copy_targeted_dna(const class utility::vector1<class std::shared_ptr<class protocols::dna::DnaDesignDef>, class std::allocator<class std::shared_ptr<class protocols::dna::DnaDesignDef> > > &) –> void
- dna_chains(self: pyrosetta.rosetta.protocols.dna.RestrictDesignToProteinDNAInterface) pyrosetta.rosetta.protocols.dna.DnaChains ¶
C++: protocols::dna::RestrictDesignToProteinDNAInterface::dna_chains() const –> class std::shared_ptr<const class protocols::dna::DnaChains>
- forget_chains_and_interface(self: pyrosetta.rosetta.protocols.dna.RestrictDesignToProteinDNAInterface) bool ¶
C++: protocols::dna::RestrictDesignToProteinDNAInterface::forget_chains_and_interface() const –> bool
- interface(self: pyrosetta.rosetta.protocols.dna.RestrictDesignToProteinDNAInterface) pyrosetta.rosetta.protocols.dna.DnaInterfaceFinder ¶
C++: protocols::dna::RestrictDesignToProteinDNAInterface::interface() const –> class std::shared_ptr<const class protocols::dna::DnaInterfaceFinder>
- static keyname() str ¶
C++: protocols::dna::RestrictDesignToProteinDNAInterface::keyname() –> std::string
- parse_tag(self: pyrosetta.rosetta.protocols.dna.RestrictDesignToProteinDNAInterface, : pyrosetta.rosetta.utility.tag.Tag, : pyrosetta.rosetta.basic.datacache.DataMap) None ¶
C++: protocols::dna::RestrictDesignToProteinDNAInterface::parse_tag(class std::shared_ptr<const class utility::tag::Tag>, class basic::datacache::DataMap &) –> void
- provide_citation_info(self: pyrosetta.rosetta.core.pack.task.operation.TaskOperation, : 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 task operations wishing to provide citation information.
C++: core::pack::task::operation::TaskOperation::provide_citation_info(class basic::citation_manager::CitationCollectionList &) const –> void
- static provide_xml_schema(xsd: utility::tag::XMLSchemaDefinition) None ¶
C++: protocols::dna::RestrictDesignToProteinDNAInterface::provide_xml_schema(class utility::tag::XMLSchemaDefinition &) –> void
- reference_pose(self: pyrosetta.rosetta.protocols.dna.RestrictDesignToProteinDNAInterface) pyrosetta.rosetta.core.pose.Pose ¶
C++: protocols::dna::RestrictDesignToProteinDNAInterface::reference_pose() const –> class std::shared_ptr<const class core::pose::Pose>
- set_base_only(self: pyrosetta.rosetta.protocols.dna.RestrictDesignToProteinDNAInterface, value: bool) None ¶
C++: protocols::dna::RestrictDesignToProteinDNAInterface::set_base_only(bool) –> void
- set_forget_chains_and_interface(self: pyrosetta.rosetta.protocols.dna.RestrictDesignToProteinDNAInterface, value: bool) None ¶
C++: protocols::dna::RestrictDesignToProteinDNAInterface::set_forget_chains_and_interface(bool) –> void
- set_reference_pose(self: pyrosetta.rosetta.protocols.dna.RestrictDesignToProteinDNAInterface, pose: pyrosetta.rosetta.core.pose.Pose) None ¶
C++: protocols::dna::RestrictDesignToProteinDNAInterface::set_reference_pose(class std::shared_ptr<const class core::pose::Pose>) –> void
- targeted_dna(self: pyrosetta.rosetta.protocols.dna.RestrictDesignToProteinDNAInterface) pyrosetta.rosetta.utility.vector1_std_shared_ptr_protocols_dna_DnaDesignDef_t ¶
C++: protocols::dna::RestrictDesignToProteinDNAInterface::targeted_dna() const –> const class utility::vector1<class std::shared_ptr<class protocols::dna::DnaDesignDef>, class std::allocator<class std::shared_ptr<class protocols::dna::DnaDesignDef> > > &
- class pyrosetta.rosetta.protocols.dna.RestrictDesignToProteinDNAInterfaceCreator¶
Bases:
TaskOperationCreator
- assign(self: pyrosetta.rosetta.protocols.dna.RestrictDesignToProteinDNAInterfaceCreator, : pyrosetta.rosetta.protocols.dna.RestrictDesignToProteinDNAInterfaceCreator) pyrosetta.rosetta.protocols.dna.RestrictDesignToProteinDNAInterfaceCreator ¶
C++: protocols::dna::RestrictDesignToProteinDNAInterfaceCreator::operator=(const class protocols::dna::RestrictDesignToProteinDNAInterfaceCreator &) –> class protocols::dna::RestrictDesignToProteinDNAInterfaceCreator &
- create_task_operation(self: pyrosetta.rosetta.protocols.dna.RestrictDesignToProteinDNAInterfaceCreator) pyrosetta.rosetta.core.pack.task.operation.TaskOperation ¶
C++: protocols::dna::RestrictDesignToProteinDNAInterfaceCreator::create_task_operation() const –> class std::shared_ptr<class core::pack::task::operation::TaskOperation>
- keyname(self: pyrosetta.rosetta.protocols.dna.RestrictDesignToProteinDNAInterfaceCreator) str ¶
C++: protocols::dna::RestrictDesignToProteinDNAInterfaceCreator::keyname() const –> std::string
- provide_xml_schema(self: pyrosetta.rosetta.protocols.dna.RestrictDesignToProteinDNAInterfaceCreator, xsd: utility::tag::XMLSchemaDefinition) None ¶
C++: protocols::dna::RestrictDesignToProteinDNAInterfaceCreator::provide_xml_schema(class utility::tag::XMLSchemaDefinition &) const –> void
- skip_citation_info_in_schema(self: pyrosetta.rosetta.core.pack.task.operation.TaskOperationCreator) bool ¶
Indicate whether we skip adding citation information to the XML schema.
False for any real task operation. True only for dummy task operations created for unit tests.
C++: core::pack::task::operation::TaskOperationCreator::skip_citation_info_in_schema() const –> bool
- class pyrosetta.rosetta.protocols.dna.RotamerDNAHBondFilter¶
Bases:
RotamerOperation
- assign(self: pyrosetta.rosetta.protocols.dna.RotamerDNAHBondFilter, : pyrosetta.rosetta.protocols.dna.RotamerDNAHBondFilter) pyrosetta.rosetta.protocols.dna.RotamerDNAHBondFilter ¶
C++: protocols::dna::RotamerDNAHBondFilter::operator=(const class protocols::dna::RotamerDNAHBondFilter &) –> class protocols::dna::RotamerDNAHBondFilter &
- report(self: pyrosetta.rosetta.protocols.dna.RotamerDNAHBondFilter) None ¶
C++: protocols::dna::RotamerDNAHBondFilter::report() const –> void
- class pyrosetta.rosetta.protocols.dna.SeparateDnaFromNonDna¶
Bases:
Mover
- apply(self: pyrosetta.rosetta.protocols.dna.SeparateDnaFromNonDna, pose: pyrosetta.rosetta.core.pose.Pose) None ¶
C++: protocols::dna::SeparateDnaFromNonDna::apply(class core::pose::Pose &) –> void
- assign(self: pyrosetta.rosetta.protocols.dna.SeparateDnaFromNonDna, : pyrosetta.rosetta.protocols.dna.SeparateDnaFromNonDna) pyrosetta.rosetta.protocols.dna.SeparateDnaFromNonDna ¶
C++: protocols::dna::SeparateDnaFromNonDna::operator=(const class protocols::dna::SeparateDnaFromNonDna &) –> class protocols::dna::SeparateDnaFromNonDna &
- 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.dna.SeparateDnaFromNonDna) pyrosetta.rosetta.protocols.moves.Mover ¶
required in the context of the parser/scripting scheme
C++: protocols::dna::SeparateDnaFromNonDna::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.dna.SeparateDnaFromNonDna) pyrosetta.rosetta.protocols.moves.Mover ¶
required in the context of the parser/scripting scheme
C++: protocols::dna::SeparateDnaFromNonDna::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.dna.SeparateDnaFromNonDna) str ¶
C++: protocols::dna::SeparateDnaFromNonDna::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 > > &
- 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::dna::SeparateDnaFromNonDna::mover_name() –> std::string
- static name() str ¶
C++: protocols::moves::Mover::name() –> std::string
- parse_my_tag(self: pyrosetta.rosetta.protocols.dna.SeparateDnaFromNonDna, : pyrosetta.rosetta.utility.tag.Tag, : pyrosetta.rosetta.basic.datacache.DataMap) None ¶
parse XML (specifically in the context of the parser/scripting scheme)
C++: protocols::dna::SeparateDnaFromNonDna::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::dna::SeparateDnaFromNonDna::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_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
- 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
- translation(self: pyrosetta.rosetta.protocols.dna.SeparateDnaFromNonDna) pyrosetta.rosetta.numeric.xyzVector_double_t ¶
C++: protocols::dna::SeparateDnaFromNonDna::translation() const –> class numeric::xyzVector<double>
- 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.dna.SeparateDnaFromNonDnaCreator¶
Bases:
MoverCreator
- assign(self: pyrosetta.rosetta.protocols.dna.SeparateDnaFromNonDnaCreator, : pyrosetta.rosetta.protocols.dna.SeparateDnaFromNonDnaCreator) pyrosetta.rosetta.protocols.dna.SeparateDnaFromNonDnaCreator ¶
C++: protocols::dna::SeparateDnaFromNonDnaCreator::operator=(const class protocols::dna::SeparateDnaFromNonDnaCreator &) –> class protocols::dna::SeparateDnaFromNonDnaCreator &
- create_mover(self: pyrosetta.rosetta.protocols.dna.SeparateDnaFromNonDnaCreator) pyrosetta.rosetta.protocols.moves.Mover ¶
C++: protocols::dna::SeparateDnaFromNonDnaCreator::create_mover() const –> class std::shared_ptr<class protocols::moves::Mover>
- keyname(self: pyrosetta.rosetta.protocols.dna.SeparateDnaFromNonDnaCreator) str ¶
C++: protocols::dna::SeparateDnaFromNonDnaCreator::keyname() const –> std::string
- class pyrosetta.rosetta.protocols.dna.WatsonCrickRotamerCouplings¶
Bases:
TaskOperation
- apply(self: pyrosetta.rosetta.protocols.dna.WatsonCrickRotamerCouplings, pose: pyrosetta.rosetta.core.pose.Pose, ptask: pyrosetta.rosetta.core.pack.task.PackerTask) None ¶
C++: protocols::dna::WatsonCrickRotamerCouplings::apply(const class core::pose::Pose &, class core::pack::task::PackerTask &) const –> void
- assign(self: pyrosetta.rosetta.protocols.dna.WatsonCrickRotamerCouplings, : pyrosetta.rosetta.protocols.dna.WatsonCrickRotamerCouplings) pyrosetta.rosetta.protocols.dna.WatsonCrickRotamerCouplings ¶
C++: protocols::dna::WatsonCrickRotamerCouplings::operator=(const class protocols::dna::WatsonCrickRotamerCouplings &) –> class protocols::dna::WatsonCrickRotamerCouplings &
- clone(self: pyrosetta.rosetta.protocols.dna.WatsonCrickRotamerCouplings) pyrosetta.rosetta.core.pack.task.operation.TaskOperation ¶
C++: protocols::dna::WatsonCrickRotamerCouplings::clone() const –> class std::shared_ptr<class core::pack::task::operation::TaskOperation>
- static keyname() str ¶
C++: protocols::dna::WatsonCrickRotamerCouplings::keyname() –> std::string
- parse_tag(self: pyrosetta.rosetta.protocols.dna.WatsonCrickRotamerCouplings, : pyrosetta.rosetta.utility.tag.Tag, : pyrosetta.rosetta.basic.datacache.DataMap) None ¶
C++: protocols::dna::WatsonCrickRotamerCouplings::parse_tag(class std::shared_ptr<const class utility::tag::Tag>, class basic::datacache::DataMap &) –> void
- provide_citation_info(self: pyrosetta.rosetta.core.pack.task.operation.TaskOperation, : 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 task operations wishing to provide citation information.
C++: core::pack::task::operation::TaskOperation::provide_citation_info(class basic::citation_manager::CitationCollectionList &) const –> void
- class pyrosetta.rosetta.protocols.dna.WatsonCrickRotamerCouplingsCreator¶
Bases:
TaskOperationCreator
- assign(self: pyrosetta.rosetta.protocols.dna.WatsonCrickRotamerCouplingsCreator, : pyrosetta.rosetta.protocols.dna.WatsonCrickRotamerCouplingsCreator) pyrosetta.rosetta.protocols.dna.WatsonCrickRotamerCouplingsCreator ¶
C++: protocols::dna::WatsonCrickRotamerCouplingsCreator::operator=(const class protocols::dna::WatsonCrickRotamerCouplingsCreator &) –> class protocols::dna::WatsonCrickRotamerCouplingsCreator &
- create_task_operation(self: pyrosetta.rosetta.protocols.dna.WatsonCrickRotamerCouplingsCreator) pyrosetta.rosetta.core.pack.task.operation.TaskOperation ¶
C++: protocols::dna::WatsonCrickRotamerCouplingsCreator::create_task_operation() const –> class std::shared_ptr<class core::pack::task::operation::TaskOperation>
- keyname(self: pyrosetta.rosetta.protocols.dna.WatsonCrickRotamerCouplingsCreator) str ¶
C++: protocols::dna::WatsonCrickRotamerCouplingsCreator::keyname() const –> std::string
- provide_xml_schema(self: pyrosetta.rosetta.protocols.dna.WatsonCrickRotamerCouplingsCreator, xsd: utility::tag::XMLSchemaDefinition) None ¶
C++: protocols::dna::WatsonCrickRotamerCouplingsCreator::provide_xml_schema(class utility::tag::XMLSchemaDefinition &) const –> void
- skip_citation_info_in_schema(self: pyrosetta.rosetta.core.pack.task.operation.TaskOperationCreator) bool ¶
Indicate whether we skip adding citation information to the XML schema.
False for any real task operation. True only for dummy task operations created for unit tests.
C++: core::pack::task::operation::TaskOperationCreator::skip_citation_info_in_schema() const –> bool
- pyrosetta.rosetta.protocols.dna.add_constraints_from_file(pose: pyrosetta.rosetta.core.pose.Pose) None ¶
C++: protocols::dna::add_constraints_from_file(class core::pose::Pose &) –> void
- pyrosetta.rosetta.protocols.dna.argrot_dna_dis2(*args, **kwargs)¶
Overloaded function.
argrot_dna_dis2(pose: pyrosetta.rosetta.core.pose.Pose, presid: int, pres: pyrosetta.rosetta.core.conformation.Residue, dres: pyrosetta.rosetta.core.conformation.Residue, threshold: float) -> float
argrot_dna_dis2(pose: pyrosetta.rosetta.core.pose.Pose, presid: int, pres: pyrosetta.rosetta.core.conformation.Residue, dres: pyrosetta.rosetta.core.conformation.Residue, threshold: float, base_only: bool) -> float
arginine rotamer sweep at a protein residue to see if it should be considered a (potentially) ‘dna-contacting’ residue
ashworth
C++: protocols::dna::argrot_dna_dis2(const class core::pose::Pose &, unsigned long, const class core::conformation::Residue &, const class core::conformation::Residue &, double, bool) –> double
- pyrosetta.rosetta.protocols.dna.checkpoint_cleanup() None ¶
C++: protocols::dna::checkpoint_cleanup() –> void
- pyrosetta.rosetta.protocols.dna.close_to_dna(*args, **kwargs)¶
Overloaded function.
close_to_dna(pres: pyrosetta.rosetta.core.conformation.Residue, dres: pyrosetta.rosetta.core.conformation.Residue, cut2: float) -> bool
close_to_dna(pres: pyrosetta.rosetta.core.conformation.Residue, dres: pyrosetta.rosetta.core.conformation.Residue, cut2: float, base_only: bool) -> bool
checks c-beta (except glycine) to base atom-atom distances, not including ribose or phosphate backbone.
ashworth
C++: protocols::dna::close_to_dna(const class core::conformation::Residue &, const class core::conformation::Residue &, double, bool) –> bool
- pyrosetta.rosetta.protocols.dna.dna_base_partner(na: pyrosetta.rosetta.core.chemical.AA) pyrosetta.rosetta.core.chemical.AA ¶
C++: protocols::dna::dna_base_partner(const enum core::chemical::AA &) –> enum core::chemical::AA
- pyrosetta.rosetta.protocols.dna.dna_comp_name_str(dna: str) str ¶
also consider using the dna_base_partner function below
ashworth
C++: protocols::dna::dna_comp_name_str(const std::string &) –> std::string
- pyrosetta.rosetta.protocols.dna.dna_full_name3(name3: str) str ¶
intended to convert any DNA “threeletter code” into the full three-letter code. Note that this does not (necessarily) return the same thing as residue_type::name3 (which returns ” N” format as of Dec 2008)
C++: protocols::dna::dna_full_name3(const std::string &) –> std::string
- pyrosetta.rosetta.protocols.dna.find_basepairs(*args, **kwargs)¶
Overloaded function.
find_basepairs(pose: pyrosetta.rosetta.core.pose.Pose, dna_chains: pyrosetta.rosetta.protocols.dna.DnaChains) -> None
find_basepairs(pose: pyrosetta.rosetta.core.pose.Pose, dna_chains: pyrosetta.rosetta.protocols.dna.DnaChains, include_unpaired: bool) -> None
DnaChains version, adapted from pbradley’s code. More paranoid geometry checks, in order to allow highly distorted basepairs without making mistakes
ashworth
C++: protocols::dna::find_basepairs(const class core::pose::Pose &, class protocols::dna::DnaChains &, bool) –> void
- pyrosetta.rosetta.protocols.dna.load_checkpoint(pose: pyrosetta.rosetta.core.pose.Pose, iter: int) None ¶
C++: protocols::dna::load_checkpoint(class core::pose::Pose &, unsigned long &) –> void
- pyrosetta.rosetta.protocols.dna.load_dna_design_defs_from_file(defs: pyrosetta.rosetta.utility.vector1_std_shared_ptr_protocols_dna_DnaDesignDef_t, filename: str, pdb_prefix: str) None ¶
C++: protocols::dna::load_dna_design_defs_from_file(class utility::vector1<class std::shared_ptr<class protocols::dna::DnaDesignDef>, class std::allocator<class std::shared_ptr<class protocols::dna::DnaDesignDef> > > &, const std::string &, const std::string &) –> void
- pyrosetta.rosetta.protocols.dna.load_dna_design_defs_from_options(*args, **kwargs)¶
Overloaded function.
load_dna_design_defs_from_options(defs: pyrosetta.rosetta.utility.vector1_std_shared_ptr_protocols_dna_DnaDesignDef_t) -> None
load_dna_design_defs_from_options(defs: pyrosetta.rosetta.utility.vector1_std_shared_ptr_protocols_dna_DnaDesignDef_t, pdb_prefix: str) -> None
C++: protocols::dna::load_dna_design_defs_from_options(class utility::vector1<class std::shared_ptr<class protocols::dna::DnaDesignDef>, class std::allocator<class std::shared_ptr<class protocols::dna::DnaDesignDef> > > &, const std::string &) –> void
- pyrosetta.rosetta.protocols.dna.load_dna_design_defs_from_strings(defs: pyrosetta.rosetta.utility.vector1_std_shared_ptr_protocols_dna_DnaDesignDef_t, str_defs: pyrosetta.rosetta.utility.vector1_std_string) None ¶
- loads command-line dna design definitions (shorthand alternative to using resfile)
- option value is string vector
i.e. -dna_defs C.-6 C.-5 or -dna_defs C.-6.GUA C.-5.CYT
ashworth
C++: protocols::dna::load_dna_design_defs_from_strings(class utility::vector1<class std::shared_ptr<class protocols::dna::DnaDesignDef>, class std::allocator<class std::shared_ptr<class protocols::dna::DnaDesignDef> > > &, const class utility::vector1<std::string, class std::allocator<std::string > > &) –> void
- pyrosetta.rosetta.protocols.dna.make_base_pair_aware_fold_tree(pose: pyrosetta.rosetta.core.pose.Pose) pyrosetta.rosetta.core.kinematics.FoldTree ¶
C++: protocols::dna::make_base_pair_aware_fold_tree(const class core::pose::Pose &) –> class core::kinematics::FoldTree
- pyrosetta.rosetta.protocols.dna.make_single_mutants(sequence: pyrosetta.rosetta.std.map_unsigned_long_std_shared_ptr_const_core_chemical_ResidueType_t_std_allocator_std_pair_const_unsigned_long_std_shared_ptr_const_core_chemical_ResidueType_t, ptask: pyrosetta.rosetta.core.pack.task.PackerTask, sequences: pyrosetta.rosetta.utility.vector1_std_map_unsigned_long_std_shared_ptr_const_core_chemical_ResidueType_std_less_unsigned_long_std_allocator_std_pair_const_unsigned_long_std_shared_ptr_const_core_chemical_ResidueType_t) None ¶
make a list of all single mutants from a base sequence
ashworth
C++: protocols::dna::make_single_mutants(const class std::map<unsigned long, class std::shared_ptr<const class core::chemical::ResidueType>, struct std::less<unsigned long>, class std::allocator<struct std::pair<const unsigned long, class std::shared_ptr<const class core::chemical::ResidueType> > > > &, class std::shared_ptr<const class core::pack::task::PackerTask>, class utility::vector1<class std::map<unsigned long, class std::shared_ptr<const class core::chemical::ResidueType>, struct std::less<unsigned long>, class std::allocator<struct std::pair<const unsigned long, class std::shared_ptr<const class core::chemical::ResidueType> > > >, class std::allocator<class std::map<unsigned long, class std::shared_ptr<const class core::chemical::ResidueType>, struct std::less<unsigned long>, class std::allocator<struct std::pair<const unsigned long, class std::shared_ptr<const class core::chemical::ResidueType> > > > > > &) –> void
- pyrosetta.rosetta.protocols.dna.make_subdirs(: str) None ¶
C++: protocols::dna::make_subdirs(const std::string &) –> void
- pyrosetta.rosetta.protocols.dna.not_already_connected(pose: pyrosetta.rosetta.core.pose.Pose, num_jumps: int, this_chain: str, other_chain: str, jump_pairs: pyrosetta.rosetta.ObjexxFCL.FArray2D_unsigned_long_t) bool ¶
C++: protocols::dna::not_already_connected(const class core::pose::Pose &, const unsigned long, const char, const char, class ObjexxFCL::FArray2D<unsigned long> &) –> bool
- pyrosetta.rosetta.protocols.dna.print_sequence_pdb_nums(: pyrosetta.rosetta.std.map_unsigned_long_std_shared_ptr_const_core_chemical_ResidueType_t_std_allocator_std_pair_const_unsigned_long_std_shared_ptr_const_core_chemical_ResidueType_t, : pyrosetta.rosetta.core.pose.Pose, : pyrosetta.rosetta.std.ostream) None ¶
C++: protocols::dna::print_sequence_pdb_nums(const class std::map<unsigned long, class std::shared_ptr<const class core::chemical::ResidueType>, struct std::less<unsigned long>, class std::allocator<struct std::pair<const unsigned long, class std::shared_ptr<const class core::chemical::ResidueType> > > > &, const class core::pose::Pose &, std::ostream &) –> void
- pyrosetta.rosetta.protocols.dna.print_sequences_pdb_nums(: pyrosetta.rosetta.utility.vector1_std_map_unsigned_long_std_shared_ptr_const_core_chemical_ResidueType_std_less_unsigned_long_std_allocator_std_pair_const_unsigned_long_std_shared_ptr_const_core_chemical_ResidueType_t, : pyrosetta.rosetta.core.pose.Pose, : pyrosetta.rosetta.std.ostream) None ¶
C++: protocols::dna::print_sequences_pdb_nums(const class utility::vector1<class std::map<unsigned long, class std::shared_ptr<const class core::chemical::ResidueType>, struct std::less<unsigned long>, class std::allocator<struct std::pair<const unsigned long, class std::shared_ptr<const class core::chemical::ResidueType> > > >, class std::allocator<class std::map<unsigned long, class std::shared_ptr<const class core::chemical::ResidueType>, struct std::less<unsigned long>, class std::allocator<struct std::pair<const unsigned long, class std::shared_ptr<const class core::chemical::ResidueType> > > > > > &, const class core::pose::Pose &, std::ostream &) –> void
- pyrosetta.rosetta.protocols.dna.restrict_dna_rotamers(rotsets: pyrosetta.rosetta.core.pack.rotamer_set.RotamerSets, seq: pyrosetta.rosetta.std.map_unsigned_long_std_shared_ptr_const_core_chemical_ResidueType_t_std_allocator_std_pair_const_unsigned_long_std_shared_ptr_const_core_chemical_ResidueType_t, rot_to_pack: pyrosetta.rosetta.utility.vector0_int) None ¶
for packing a single DNA sequence out of a multi-DNA-sequence RotamerSet
ashworth
C++: protocols::dna::restrict_dna_rotamers(class std::shared_ptr<const class core::pack::rotamer_set::RotamerSets>, const class std::map<unsigned long, class std::shared_ptr<const class core::chemical::ResidueType>, struct std::less<unsigned long>, class std::allocator<struct std::pair<const unsigned long, class std::shared_ptr<const class core::chemical::ResidueType> > > > &, class utility::vector0<int, class std::allocator<int> > &) –> void
- pyrosetta.rosetta.protocols.dna.restrict_to_single_sequence(rotamer_sets: pyrosetta.rosetta.core.pack.rotamer_set.RotamerSets, single_sequence: pyrosetta.rosetta.utility.vector1_std_shared_ptr_const_core_chemical_ResidueType_t, rot_to_pack: pyrosetta.rosetta.utility.vector0_int) None ¶
for packing a single sequence out of a RotamerSets that (potentially) represents sequence variability
ashworth
C++: protocols::dna::restrict_to_single_sequence(class std::shared_ptr<const class core::pack::rotamer_set::RotamerSets>, const class utility::vector1<class std::shared_ptr<const class core::chemical::ResidueType>, class std::allocator<class std::shared_ptr<const class core::chemical::ResidueType> > > &, class utility::vector0<int, class std::allocator<int> > &) –> void
- pyrosetta.rosetta.protocols.dna.seq_pdb_str(: pyrosetta.rosetta.std.map_unsigned_long_std_shared_ptr_const_core_chemical_ResidueType_t_std_allocator_std_pair_const_unsigned_long_std_shared_ptr_const_core_chemical_ResidueType_t, : pyrosetta.rosetta.core.pose.Pose) str ¶
C++: protocols::dna::seq_pdb_str(const class std::map<unsigned long, class std::shared_ptr<const class core::chemical::ResidueType>, struct std::less<unsigned long>, class std::allocator<struct std::pair<const unsigned long, class std::shared_ptr<const class core::chemical::ResidueType> > > > &, const class core::pose::Pose &) –> std::string
- pyrosetta.rosetta.protocols.dna.seq_to_str(seq: pyrosetta.rosetta.std.map_unsigned_long_std_shared_ptr_const_core_chemical_ResidueType_t_std_allocator_std_pair_const_unsigned_long_std_shared_ptr_const_core_chemical_ResidueType_t) str ¶
C++: protocols::dna::seq_to_str(const class std::map<unsigned long, class std::shared_ptr<const class core::chemical::ResidueType>, struct std::less<unsigned long>, class std::allocator<struct std::pair<const unsigned long, class std::shared_ptr<const class core::chemical::ResidueType> > > > &) –> std::string
- pyrosetta.rosetta.protocols.dna.set_base_segment_chainbreak_constraints(pose: pyrosetta.rosetta.core.pose.Pose, this_base: int, end_base: int) None ¶
C++: protocols::dna::set_base_segment_chainbreak_constraints(class core::pose::Pose &, const unsigned long, const unsigned long) –> void
- pyrosetta.rosetta.protocols.dna.show_dna_geometry(pose: pyrosetta.rosetta.core.pose.Pose, out: pyrosetta.rosetta.std.ostream) None ¶
C++: protocols::dna::show_dna_geometry(const class core::pose::Pose &, std::ostream &) –> void
- pyrosetta.rosetta.protocols.dna.show_dna_geometry_extra_details(pose: pyrosetta.rosetta.core.pose.Pose, tag: str, out: pyrosetta.rosetta.std.ostream) None ¶
C++: protocols::dna::show_dna_geometry_extra_details(const class core::pose::Pose &, std::string, std::ostream &) –> void
- pyrosetta.rosetta.protocols.dna.substitute_residue(pose: pyrosetta.rosetta.core.pose.Pose, index: int, new_type: pyrosetta.rosetta.core.chemical.ResidueType) None ¶
C++: protocols::dna::substitute_residue(class core::pose::Pose &, unsigned long, const class core::chemical::ResidueType &) –> void
- pyrosetta.rosetta.protocols.dna.write_checkpoint(pose: pyrosetta.rosetta.core.pose.Pose, iter: int) None ¶
C++: protocols::dna::write_checkpoint(class core::pose::Pose &, unsigned long) –> void
- pyrosetta.rosetta.protocols.dna.z_axis_dist(pres: pyrosetta.rosetta.core.conformation.Residue, dres: pyrosetta.rosetta.core.conformation.Residue) float ¶
A sanity check for the arginine rotamer screen. Can prevent the design of positions that are best left alone because they are too far away along the helical axis (‘laterally’).
ashworth
C++: protocols::dna::z_axis_dist(const class core::conformation::Residue &, const class core::conformation::Residue &) –> double