buns¶

Bindings for protocols::buns namespace

class pyrosetta.rosetta.protocols.buns.BuriedUnsatHbondFilter2¶

Bases: Filter

filters based on an upper bound # of buried unsatisfied polar residues

__init__(*args, **kwargs)¶

Overloaded function.

__init__(self: pyrosetta.rosetta.protocols.buns.BuriedUnsatHbondFilter2) -> None
__init__(self: pyrosetta.rosetta.protocols.buns.BuriedUnsatHbondFilter2, upper_threshold: int, jump_num: int) -> None
__init__(self: pyrosetta.rosetta.protocols.buns.BuriedUnsatHbondFilter2, arg0: pyrosetta.rosetta.protocols.buns.BuriedUnsatHbondFilter2) -> None
__init__(self: pyrosetta.rosetta.protocols.buns.BuriedUnsatHbondFilter2, arg0: pyrosetta.rosetta.protocols.buns.BuriedUnsatHbondFilter2) -> None

_pybind11_conduit_v1_()¶

apply(self: pyrosetta.rosetta.protocols.buns.BuriedUnsatHbondFilter2, pose: pyrosetta.rosetta.core.pose.Pose) → bool¶: C++: protocols::buns::BuriedUnsatHbondFilter2::apply(const class core::pose::Pose &) const –> bool

static class_name() → str¶: C++: protocols::buns::BuriedUnsatHbondFilter2::class_name() –> std::string

clear(self: pyrosetta.rosetta.protocols.filters.Filter) → None¶

used to clear internal variables if needed. Using fresh_instance is preferred since it’s a pure virtual

C++: protocols::filters::Filter::clear() –> void

clone(self: pyrosetta.rosetta.protocols.buns.BuriedUnsatHbondFilter2) → pyrosetta.rosetta.protocols.filters.Filter¶: C++: protocols::buns::BuriedUnsatHbondFilter2::clone() const –> class std::shared_ptr<class protocols::filters::Filter>

compute(self: pyrosetta.rosetta.protocols.buns.BuriedUnsatHbondFilter2, pose: pyrosetta.rosetta.core.pose.Pose) → int¶: C++: protocols::buns::BuriedUnsatHbondFilter2::compute(const class core::pose::Pose &) const –> unsigned long

fresh_instance(self: pyrosetta.rosetta.protocols.buns.BuriedUnsatHbondFilter2) → pyrosetta.rosetta.protocols.filters.Filter¶: C++: protocols::buns::BuriedUnsatHbondFilter2::fresh_instance() const –> class std::shared_ptr<class protocols::filters::Filter>

get_type(self: pyrosetta.rosetta.protocols.filters.Filter) → str¶: C++: protocols::filters::Filter::get_type() const –> std::string

get_user_defined_name(self: pyrosetta.rosetta.protocols.filters.Filter) → str¶: C++: protocols::filters::Filter::get_user_defined_name() const –> std::string

name(self: pyrosetta.rosetta.protocols.buns.BuriedUnsatHbondFilter2) → str¶: C++: protocols::buns::BuriedUnsatHbondFilter2::name() const –> std::string

parse_my_tag(self: pyrosetta.rosetta.protocols.buns.BuriedUnsatHbondFilter2, tag: pyrosetta.rosetta.utility.tag.Tag, : pyrosetta.rosetta.basic.datacache.DataMap) → None¶: C++: protocols::buns::BuriedUnsatHbondFilter2::parse_my_tag(class std::shared_ptr<const class utility::tag::Tag>, class basic::datacache::DataMap &) –> void

provide_citation_info(self: pyrosetta.rosetta.protocols.filters.Filter, : 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 filters wishing to provide citation information.

C++: protocols::filters::Filter::provide_citation_info(class basic::citation_manager::CitationCollectionList &) const –> void

static provide_xml_schema(xsd: utility::tag::XMLSchemaDefinition) → None¶: C++: protocols::buns::BuriedUnsatHbondFilter2::provide_xml_schema(class utility::tag::XMLSchemaDefinition &) –> void

report(self: pyrosetta.rosetta.protocols.buns.BuriedUnsatHbondFilter2, out: pyrosetta.rosetta.std.ostream, pose: pyrosetta.rosetta.core.pose.Pose) → None¶: C++: protocols::buns::BuriedUnsatHbondFilter2::report(std::ostream &, const class core::pose::Pose &) const –> void

report_sm(self: pyrosetta.rosetta.protocols.buns.BuriedUnsatHbondFilter2, pose: pyrosetta.rosetta.core.pose.Pose) → float¶: C++: protocols::buns::BuriedUnsatHbondFilter2::report_sm(const class core::pose::Pose &) const –> double

score(self: pyrosetta.rosetta.protocols.filters.Filter, pose: pyrosetta.rosetta.core.pose.Pose) → float¶: C++: protocols::filters::Filter::score(class core::pose::Pose &) –> double

set_user_defined_name(self: pyrosetta.rosetta.protocols.filters.Filter, name: str) → None¶: C++: protocols::filters::Filter::set_user_defined_name(const std::string &) –> void

task_factory(*args, **kwargs)¶

Overloaded function.

task_factory(self: pyrosetta.rosetta.protocols.buns.BuriedUnsatHbondFilter2, tf: pyrosetta.rosetta.core.pack.task.TaskFactory) -> None

C++: protocols::buns::BuriedUnsatHbondFilter2::task_factory(class std::shared_ptr<class core::pack::task::TaskFactory>) –> void

task_factory(self: pyrosetta.rosetta.protocols.buns.BuriedUnsatHbondFilter2) -> pyrosetta.rosetta.core.pack.task.TaskFactory

C++: protocols::buns::BuriedUnsatHbondFilter2::task_factory() const –> class std::shared_ptr<class core::pack::task::TaskFactory>

class pyrosetta.rosetta.protocols.buns.BuriedUnsatHbondFilter2Creator¶

Bases: FilterCreator

__init__(*args, **kwargs)¶

Overloaded function.

__init__(self: pyrosetta.rosetta.protocols.buns.BuriedUnsatHbondFilter2Creator) -> None
__init__(self: pyrosetta.rosetta.protocols.buns.BuriedUnsatHbondFilter2Creator, arg0: pyrosetta.rosetta.protocols.buns.BuriedUnsatHbondFilter2Creator) -> None
__init__(self: pyrosetta.rosetta.protocols.buns.BuriedUnsatHbondFilter2Creator, arg0: pyrosetta.rosetta.protocols.buns.BuriedUnsatHbondFilter2Creator) -> None

_pybind11_conduit_v1_()¶

assign(self: pyrosetta.rosetta.protocols.buns.BuriedUnsatHbondFilter2Creator, : pyrosetta.rosetta.protocols.buns.BuriedUnsatHbondFilter2Creator) → pyrosetta.rosetta.protocols.buns.BuriedUnsatHbondFilter2Creator¶: C++: protocols::buns::BuriedUnsatHbondFilter2Creator::operator=(const class protocols::buns::BuriedUnsatHbondFilter2Creator &) –> class protocols::buns::BuriedUnsatHbondFilter2Creator &

create_filter(self: pyrosetta.rosetta.protocols.buns.BuriedUnsatHbondFilter2Creator) → pyrosetta.rosetta.protocols.filters.Filter¶: C++: protocols::buns::BuriedUnsatHbondFilter2Creator::create_filter() const –> class std::shared_ptr<class protocols::filters::Filter>

keyname(self: pyrosetta.rosetta.protocols.buns.BuriedUnsatHbondFilter2Creator) → str¶: C++: protocols::buns::BuriedUnsatHbondFilter2Creator::keyname() const –> std::string

provide_xml_schema(self: pyrosetta.rosetta.protocols.buns.BuriedUnsatHbondFilter2Creator, xsd: utility::tag::XMLSchemaDefinition) → None¶: C++: protocols::buns::BuriedUnsatHbondFilter2Creator::provide_xml_schema(class utility::tag::XMLSchemaDefinition &) const –> void

class pyrosetta.rosetta.protocols.buns.BuriedUnsatisfiedPolarsCalculator2¶

Bases: EnergyDependentCalculator

__init__(*args, **kwargs)¶

Overloaded function.

__init__(self: pyrosetta.rosetta.protocols.buns.BuriedUnsatisfiedPolarsCalculator2, weak_bunsat_calc_: str) -> None
__init__(self: pyrosetta.rosetta.protocols.buns.BuriedUnsatisfiedPolarsCalculator2, weak_bunsat_calc: str, special_region: pyrosetta.rosetta.std.set_unsigned_long_t) -> None
__init__(self: pyrosetta.rosetta.protocols.buns.BuriedUnsatisfiedPolarsCalculator2, arg0: pyrosetta.rosetta.protocols.buns.BuriedUnsatisfiedPolarsCalculator2) -> None
__init__(self: pyrosetta.rosetta.protocols.buns.BuriedUnsatisfiedPolarsCalculator2, arg0: pyrosetta.rosetta.protocols.buns.BuriedUnsatisfiedPolarsCalculator2) -> None

_pybind11_conduit_v1_()¶

assign(self: pyrosetta.rosetta.protocols.buns.BuriedUnsatisfiedPolarsCalculator2, : pyrosetta.rosetta.protocols.buns.BuriedUnsatisfiedPolarsCalculator2) → pyrosetta.rosetta.protocols.buns.BuriedUnsatisfiedPolarsCalculator2¶: C++: protocols::buns::BuriedUnsatisfiedPolarsCalculator2::operator=(const class protocols::buns::BuriedUnsatisfiedPolarsCalculator2 &) –> class protocols::buns::BuriedUnsatisfiedPolarsCalculator2 &

clone(self: pyrosetta.rosetta.protocols.buns.BuriedUnsatisfiedPolarsCalculator2) → pyrosetta.rosetta.core.pose.metrics.PoseMetricCalculator¶: C++: protocols::buns::BuriedUnsatisfiedPolarsCalculator2::clone() const –> class std::shared_ptr<class core::pose::metrics::PoseMetricCalculator>

get(*args, **kwargs)¶

Overloaded function.

get(self: pyrosetta.rosetta.core.pose.metrics.EnergyDependentCalculator, key: str, val: pyrosetta.rosetta.basic.MetricValueBase, this_pose: pyrosetta.rosetta.core.pose.Pose) -> None

C++: core::pose::metrics::EnergyDependentCalculator::get(const std::string &, class basic::MetricValueBase &, const class core::pose::Pose &) –> void

get(self: pyrosetta.rosetta.core.pose.metrics.EnergyDependentCalculator, key: str, this_pose: pyrosetta.rosetta.core.pose.Pose) -> str

C++: core::pose::metrics::EnergyDependentCalculator::get(const std::string &, const class core::pose::Pose &) –> std::string

load(self: pyrosetta.rosetta.protocols.buns.BuriedUnsatisfiedPolarsCalculator2, arc: pyrosetta.rosetta.cereal.BinaryInputArchive) → None¶: C++: protocols::buns::BuriedUnsatisfiedPolarsCalculator2::load(class cereal::BinaryInputArchive &) –> void

name_of_weak_bunsat_calc(self: pyrosetta.rosetta.protocols.buns.BuriedUnsatisfiedPolarsCalculator2) → str¶: C++: protocols::buns::BuriedUnsatisfiedPolarsCalculator2::name_of_weak_bunsat_calc() const –> const std::string &

notify_energy_change(self: pyrosetta.rosetta.core.pose.metrics.EnergyDependentCalculator) → None¶: C++: core::pose::metrics::EnergyDependentCalculator::notify_energy_change() –> void

notify_structure_change(self: pyrosetta.rosetta.core.pose.metrics.PoseMetricCalculator) → None¶: C++: core::pose::metrics::PoseMetricCalculator::notify_structure_change() –> void

save(self: pyrosetta.rosetta.protocols.buns.BuriedUnsatisfiedPolarsCalculator2, arc: pyrosetta.rosetta.cereal.BinaryOutputArchive) → None¶: C++: protocols::buns::BuriedUnsatisfiedPolarsCalculator2::save(class cereal::BinaryOutputArchive &) const –> void

set_AHD_cutoff(self: pyrosetta.rosetta.protocols.buns.BuriedUnsatisfiedPolarsCalculator2, val: float) → None¶: C++: protocols::buns::BuriedUnsatisfiedPolarsCalculator2::set_AHD_cutoff(const double &) –> void

set_dist_cutoff(self: pyrosetta.rosetta.protocols.buns.BuriedUnsatisfiedPolarsCalculator2, val: float) → None¶: C++: protocols::buns::BuriedUnsatisfiedPolarsCalculator2::set_dist_cutoff(const double &) –> void

set_generous_hbonds(self: pyrosetta.rosetta.protocols.buns.BuriedUnsatisfiedPolarsCalculator2, val: bool) → None¶: C++: protocols::buns::BuriedUnsatisfiedPolarsCalculator2::set_generous_hbonds(bool) –> void

set_hxl_dist_cutoff(self: pyrosetta.rosetta.protocols.buns.BuriedUnsatisfiedPolarsCalculator2, val: float) → None¶: C++: protocols::buns::BuriedUnsatisfiedPolarsCalculator2::set_hxl_dist_cutoff(const double &) –> void

set_layered_sasa(self: pyrosetta.rosetta.protocols.buns.BuriedUnsatisfiedPolarsCalculator2, val: bool) → None¶: C++: protocols::buns::BuriedUnsatisfiedPolarsCalculator2::set_layered_sasa(bool) –> void

set_metal_dist_cutoff(self: pyrosetta.rosetta.protocols.buns.BuriedUnsatisfiedPolarsCalculator2, val: float) → None¶: C++: protocols::buns::BuriedUnsatisfiedPolarsCalculator2::set_metal_dist_cutoff(const double &) –> void

set_sasa_burial_cutoff(self: pyrosetta.rosetta.protocols.buns.BuriedUnsatisfiedPolarsCalculator2, val: float) → None¶: C++: protocols::buns::BuriedUnsatisfiedPolarsCalculator2::set_sasa_burial_cutoff(const double &) –> void

set_sulph_dist_cutoff(self: pyrosetta.rosetta.protocols.buns.BuriedUnsatisfiedPolarsCalculator2, val: float) → None¶: C++: protocols::buns::BuriedUnsatisfiedPolarsCalculator2::set_sulph_dist_cutoff(const double &) –> void

class pyrosetta.rosetta.protocols.buns.CALCULATORMODE¶

Bases: pybind11_object

Members:

energy

geometry

check_buns1

__init__(self: pyrosetta.rosetta.protocols.buns.CALCULATORMODE, value: int) → None¶

_pybind11_conduit_v1_()¶

check_buns1 = <CALCULATORMODE.check_buns1: 2>¶

energy = <CALCULATORMODE.energy: 0>¶

geometry = <CALCULATORMODE.geometry: 1>¶

property name¶

property value¶