: taskop to oversample rotamers that make good interactions with a (set of) specified target residue(s) similar to Rosetta 2.x rotamer explosion More...

#include <InteractingRotamerExplosion.hh>

Inheritance diagram for protocols::task_operations::InteractingRotamerExplosion:

[legend]

Public Types
typedef core::pack::task::operation::TaskOperation	parent

Public Types inherited from core::pack::task::operation::TaskOperation
typedef utility::tag::TagCOP	TagCOP

typedef basic::datacache::DataMap	DataMap

typedef pose::Pose	Pose

Public Member Functions
	InteractingRotamerExplosion ()

	~InteractingRotamerExplosion () override

core::pack::task::operation::TaskOperationOP	clone () const override
	Create another task operation of the type matching the most-derived version of the class. More...

void	apply (core::pose::Pose const &pose, core::pack::task::PackerTask &task) const override
	restricts to repacking all residues outside of design_shell_ around each residue More...

void	parse_tag (TagCOP tag, DataMap &datamap) override
	Used to parse an xml-like tag to load parameters and properties. More...

Public Member Functions inherited from core::pack::task::operation::TaskOperation
	~TaskOperation () override

virtual void	provide_citation_info (basic::citation_manager::CitationCollectionList &) const
	Provide citations to the passed CitationCollectionList Subclasses should add the info for themselves and any other classes they use. More...

Static Public Member Functions
static void	provide_xml_schema (utility::tag::XMLSchemaDefinition &xsd)

static std::string	keyname ()

Private Attributes
std::string	string_target_seqpos_

core::Real	score_cutoff_

core::Size	ex_level_

bool	debug_

core::Real	exclude_radius_

Detailed Description

: taskop to oversample rotamers that make good interactions with a (set of) specified target residue(s) similar to Rosetta 2.x rotamer explosion

Member Typedef Documentation

typedef core::pack::task::operation::TaskOperation protocols::task_operations::InteractingRotamerExplosion::parent

Constructor & Destructor Documentation

protocols::task_operations::InteractingRotamerExplosion::InteractingRotamerExplosion ( )

protocols::task_operations::InteractingRotamerExplosion::~InteractingRotamerExplosion ( )

overridedefault

Member Function Documentation

void protocols::task_operations::InteractingRotamerExplosion::apply	(	core::pose::Pose const &	pose,
		core::pack::task::PackerTask &	task
	)		const

overridevirtual

restricts to repacking all residues outside of design_shell_ around each residue

Implements core::pack::task::operation::TaskOperation.

References core::pack::task::ResidueLevelTask::append_rotamerset_operation(), core::conformation::Residue::atom(), debug_, ex_level_, exclude_radius_, core::pose::get_resnum_list(), core::chemical::ResidueTypeBase::is_protein(), core::conformation::Residue::nbr_atom(), core::pack::task::PackerTask::nonconst_residue_task(), core::pose::Pose::pdb_info(), core::pose::Pose::residue(), core::pose::Pose::residue_type(), score_cutoff_, core::pose::Pose::size(), string_target_seqpos_, core::id::to_string(), tr(), and protocols::kinmatch::xyz().

core::pack::task::operation::TaskOperationOP protocols::task_operations::InteractingRotamerExplosion::clone ( ) const

overridevirtual

Create another task operation of the type matching the most-derived version of the class.

Implements core::pack::task::operation::TaskOperation.

static std::string protocols::task_operations::InteractingRotamerExplosion::keyname ( )

inlinestatic

Referenced by protocols::task_operations::InteractingRotamerExplosionCreator::keyname(), and provide_xml_schema().

void protocols::task_operations::InteractingRotamerExplosion::parse_tag	(	TagCOP	tag,
		DataMap &
	)

overridevirtual

Used to parse an xml-like tag to load parameters and properties.

Reimplemented from core::pack::task::operation::TaskOperation.

References debug_, ex_level_, exclude_radius_, score_cutoff_, and string_target_seqpos_.

void protocols::task_operations::InteractingRotamerExplosion::provide_xml_schema ( utility::tag::XMLSchemaDefinition & xsd )

static

References keyname(), and core::pack::task::operation::task_op_schema_w_attributes().

Referenced by protocols::task_operations::InteractingRotamerExplosionCreator::provide_xml_schema().

Member Data Documentation

bool protocols::task_operations::InteractingRotamerExplosion::debug_

private

Referenced by apply(), and parse_tag().

core::Size protocols::task_operations::InteractingRotamerExplosion::ex_level_

private

Referenced by apply(), and parse_tag().

core::Real protocols::task_operations::InteractingRotamerExplosion::exclude_radius_

private

Referenced by apply(), and parse_tag().

core::Real protocols::task_operations::InteractingRotamerExplosion::score_cutoff_

private

Referenced by apply(), and parse_tag().

std::string protocols::task_operations::InteractingRotamerExplosion::string_target_seqpos_

private

Referenced by apply(), and parse_tag().

The documentation for this class was generated from the following files:

src/protocols/task_operations/InteractingRotamerExplosion.hh
src/protocols/task_operations/InteractingRotamerExplosion.cc

Public Types

Public Member Functions

Static Public Member Functions

Private Attributes

Detailed Description

Member Typedef Documentation

Constructor & Destructor Documentation

Member Function Documentation

Member Data Documentation