protocols::ligand_docking::MoveMapBuilder Class Reference

#include <MoveMapBuilder.hh>

Inheritance diagram for protocols::ligand_docking::MoveMapBuilder:

Public Member Functions
	MoveMapBuilder ()
	~MoveMapBuilder () override
	MoveMapBuilder (MoveMapBuilder const &that)
	MoveMapBuilder (InterfaceBuilderOP sc, InterfaceBuilderOP bb, bool minimize_water)
void	parse_my_tag (utility::tag::TagCOP tag, basic::datacache::DataMap &datamap)
core::kinematics::MoveMapOP	build (core::pose::Pose const &) const
InterfaceBuilderOP	get_sc_interface_builder () const
InterfaceBuilderOP	get_bb_interface_builder () const
bool	minimize_backbone ()

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

Private Member Functions
void	set_all_chi (core::pose::Pose const &pose, core::kinematics::MoveMapOP movemap) const
void	set_all_bb (core::pose::Pose const &pose, core::kinematics::MoveMapOP movemap) const

Private Attributes
InterfaceBuilderOP	sc_interface_builder_
InterfaceBuilderOP	bb_interface_builder_
bool	minimize_water_

Constructor & Destructor Documentation

MoveMapBuilder() [1/3]

protocols::ligand_docking::MoveMapBuilder::MoveMapBuilder

(

)

~MoveMapBuilder()

protocols::ligand_docking::MoveMapBuilder::~MoveMapBuilder ( )

overridedefault

MoveMapBuilder() [2/3]

protocols::ligand_docking::MoveMapBuilder::MoveMapBuilder

(

MoveMapBuilder const &

that

)

MoveMapBuilder() [3/3]

protocols::ligand_docking::MoveMapBuilder::MoveMapBuilder	(	InterfaceBuilderOP	sc,
		InterfaceBuilderOP	bb,
		bool	minimize_water
	)

Member Function Documentation

build()

core::kinematics::MoveMapOP protocols::ligand_docking::MoveMapBuilder::build

(

core::pose::Pose const &

pose

)

const

References bb_interface_builder_, core::pose::Pose::fold_tree(), core::kinematics::FoldTree::get_residue_edge(), core::conformation::Residue::has_property(), core::kinematics::Edge::is_jump(), core::kinematics::Edge::label(), minimize_water_, protocols::ligand_docking::MoveMapBuilder_tracer(), core::chemical::ResidueTypeBase::name3(), core::pose::Pose::residue(), core::pose::Pose::residue_type(), sc_interface_builder_, set_all_bb(), set_all_chi(), protocols::ligand_docking::set_jumps(), and core::pose::Pose::size().

element_name()

std::string protocols::ligand_docking::MoveMapBuilder::element_name ( )

static

Referenced by protocols::ligand_docking::MoveMapBuilderLoader::provide_xml_schema(), and provide_xml_schema().

get_bb_interface_builder()

InterfaceBuilderOP protocols::ligand_docking::MoveMapBuilder::get_bb_interface_builder

(

)

const

References bb_interface_builder_.

get_sc_interface_builder()

InterfaceBuilderOP protocols::ligand_docking::MoveMapBuilder::get_sc_interface_builder

(

)

const

References sc_interface_builder_.

minimize_backbone()

bool protocols::ligand_docking::MoveMapBuilder::minimize_backbone

(

)

References bb_interface_builder_.

parse_my_tag()

void protocols::ligand_docking::MoveMapBuilder::parse_my_tag	(	utility::tag::TagCOP	tag,
		basic::datacache::DataMap &	datamap
	)

References bb_interface_builder_, minimize_water_, and sc_interface_builder_.

provide_xml_schema()

void protocols::ligand_docking::MoveMapBuilder::provide_xml_schema ( utility::tag::XMLSchemaDefinition &  xsd )

static

References element_name(), and protocols::ligand_docking::MoveMapBuilderLoader::movemap_builder_ct_namer().

Referenced by protocols::ligand_docking::MoveMapBuilderLoader::provide_xml_schema().

set_all_bb()

void protocols::ligand_docking::MoveMapBuilder::set_all_bb ( core::pose::Pose const &  pose, core::kinematics::MoveMapOP  movemap  ) const

private

You MUST call set_all_chi first

References bb_interface_builder_, core::conformation::Residue::is_protein(), protocols::ligand_docking::ligand_options::InterfaceInfo::non_interface, and core::pose::Pose::residue().

Referenced by build().

set_all_chi()

void protocols::ligand_docking::MoveMapBuilder::set_all_chi ( core::pose::Pose const &  pose, core::kinematics::MoveMapOP  movemap  ) const

private

References core::conformation::Conformation::chain_begin(), core::conformation::Conformation::chain_end(), core::pose::Pose::conformation(), core::sequence::end, core::pose::get_chain_from_chain_id(), protocols::ligand_docking::MoveMapBuilder_tracer(), protocols::ligand_docking::ligand_options::InterfaceInfo::non_interface, and sc_interface_builder_.

Referenced by build().

Member Data Documentation

bb_interface_builder_

InterfaceBuilderOP protocols::ligand_docking::MoveMapBuilder::bb_interface_builder_

private

Referenced by build(), get_bb_interface_builder(), minimize_backbone(), parse_my_tag(), and set_all_bb().

minimize_water_

bool protocols::ligand_docking::MoveMapBuilder::minimize_water_

private

Referenced by build(), and parse_my_tag().

sc_interface_builder_

InterfaceBuilderOP protocols::ligand_docking::MoveMapBuilder::sc_interface_builder_

private

Referenced by build(), get_sc_interface_builder(), parse_my_tag(), and set_all_chi().

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

• src/protocols/ligand_docking/MoveMapBuilder.hh
• src/protocols/ligand_docking/MoveMapBuilder.cc