protocols::ligand_docking::MoveMapBuilder Class Reference

#include <MoveMapBuilder.hh>

Inheritance diagram for protocols::ligand_docking::MoveMapBuilder:

Collaboration diagram for protocols::ligand_docking::MoveMapBuilder:

Public Member Functions
	MoveMapBuilder ()
virtual	~MoveMapBuilder ()
	MoveMapBuilder (MoveMapBuilder const &that)
void	parse_my_tag (utility::tag::TagPtr const tag, protocols::moves::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 ()

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_

Detailed Description

Definition at line 46 of file MoveMapBuilder.hh.

Constructor & Destructor Documentation

protocols::ligand_docking::MoveMapBuilder::MoveMapBuilder

(

)

Definition at line 73 of file MoveMapBuilder.cc.

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

virtual

Definition at line 87 of file MoveMapBuilder.cc.

protocols::ligand_docking::MoveMapBuilder::MoveMapBuilder

(

MoveMapBuilder const &

that)

Definition at line 80 of file MoveMapBuilder.cc.

Member Function Documentation

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

(

core::pose::Pose const &

pose)

const

Definition at line 113 of file MoveMapBuilder.cc.

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_, core::chemical::ResidueType::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::total_residue().

InterfaceBuilderOP protocols::ligand_docking::MoveMapBuilder::get_bb_interface_builder

(

)

const

Definition at line 144 of file MoveMapBuilder.cc.

References bb_interface_builder_.

InterfaceBuilderOP protocols::ligand_docking::MoveMapBuilder::get_sc_interface_builder

(

)

const

Definition at line 138 of file MoveMapBuilder.cc.

References sc_interface_builder_.

bool protocols::ligand_docking::MoveMapBuilder::minimize_backbone

(

)

Definition at line 195 of file MoveMapBuilder.cc.

References bb_interface_builder_.

void protocols::ligand_docking::MoveMapBuilder::parse_my_tag	(	utility::tag::TagPtr const	tag,
		protocols::moves::DataMap &	datamap
	)

Definition at line 91 of file MoveMapBuilder.cc.

References bb_interface_builder_, protocols::moves::DataMap::get(), minimize_water_, and sc_interface_builder_.

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

Definition at line 177 of file MoveMapBuilder.cc.

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().

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

private

Definition at line 150 of file MoveMapBuilder.cc.

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::ligand_options::InterfaceInfo::non_interface, core::conformation::Conformation::num_chains(), and sc_interface_builder_.

Referenced by build().

Member Data Documentation

InterfaceBuilderOP protocols::ligand_docking::MoveMapBuilder::bb_interface_builder_

private

Definition at line 71 of file MoveMapBuilder.hh.

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

bool protocols::ligand_docking::MoveMapBuilder::minimize_water_

private

Definition at line 73 of file MoveMapBuilder.hh.

Referenced by build(), and parse_my_tag().

InterfaceBuilderOP protocols::ligand_docking::MoveMapBuilder::sc_interface_builder_

private

Definition at line 70 of file MoveMapBuilder.hh.

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