protocols::metal_interface Namespace Reference

Classes
class	AddZincSiteConstraints
	Add metalsite geometry constraints to pose. More...
class	MatchGrafter
class	MetalSiteResidue
class	RemoveMetalConnectionsMover
	A mover that removes the connections to metals that were added by the SetupMetalsMover or by the -auto_setup_metals flag. More...
class	RemoveMetalConnectionsMoverCreator
class	ZincHeterodimerMover
class	ZincSiteFinder

Typedefs
typedef utility::pointer::shared_ptr< AddZincSiteConstraints >	AddZincSiteConstraintsOP
typedef utility::pointer::shared_ptr< AddZincSiteConstraints const >	AddZincSiteConstraintsCOP
typedef utility::pointer::shared_ptr< MatchGrafter >	MatchGrafterOP
typedef utility::pointer::shared_ptr< MatchGrafter const >	MatchGrafterCOP
typedef utility::pointer::shared_ptr< MetalSiteResidue >	MetalSiteResidueOP
typedef utility::pointer::shared_ptr< MetalSiteResidue const >	MetalSiteResidueCOP
using	RemoveMetalConnectionsMoverOP = utility::pointer::shared_ptr< RemoveMetalConnectionsMover >
using	RemoveMetalConnectionsMoverCOP = utility::pointer::shared_ptr< RemoveMetalConnectionsMover const >
typedef utility::pointer::shared_ptr< ZincHeterodimerMover >	ZincHeterodimerMoverOP
typedef utility::pointer::shared_ptr< ZincHeterodimerMover const >	ZincHeterodimerMoverCOP
typedef utility::pointer::shared_ptr< ZincSiteFinder >	ZincSiteFinderOP
typedef utility::pointer::shared_ptr< ZincSiteFinder const >	ZincSiteFinderCOP

Functions
std::string	find_closest_atom (core::conformation::Residue const &res, core::Vector const &xyz)
std::ostream &	operator<< (std::ostream &os, RemoveMetalConnectionsMover const &mover)
void	dump_chis (core::conformation::Residue const &res)
	local helper function More...

Typedef Documentation

AddZincSiteConstraintsCOP

typedef utility::pointer::shared_ptr< AddZincSiteConstraints const > protocols::metal_interface::AddZincSiteConstraintsCOP

AddZincSiteConstraintsOP

typedef utility::pointer::shared_ptr< AddZincSiteConstraints > protocols::metal_interface::AddZincSiteConstraintsOP

MatchGrafterCOP

typedef utility::pointer::shared_ptr< MatchGrafter const > protocols::metal_interface::MatchGrafterCOP

MatchGrafterOP

typedef utility::pointer::shared_ptr< MatchGrafter > protocols::metal_interface::MatchGrafterOP

MetalSiteResidueCOP

typedef utility::pointer::shared_ptr< MetalSiteResidue const > protocols::metal_interface::MetalSiteResidueCOP

MetalSiteResidueOP

typedef utility::pointer::shared_ptr< MetalSiteResidue > protocols::metal_interface::MetalSiteResidueOP

RemoveMetalConnectionsMoverCOP

using protocols::metal_interface::RemoveMetalConnectionsMoverCOP = typedef utility::pointer::shared_ptr< RemoveMetalConnectionsMover const >

RemoveMetalConnectionsMoverOP

using protocols::metal_interface::RemoveMetalConnectionsMoverOP = typedef utility::pointer::shared_ptr< RemoveMetalConnectionsMover >

ZincHeterodimerMoverCOP

typedef utility::pointer::shared_ptr< ZincHeterodimerMover const > protocols::metal_interface::ZincHeterodimerMoverCOP

ZincHeterodimerMoverOP

typedef utility::pointer::shared_ptr< ZincHeterodimerMover > protocols::metal_interface::ZincHeterodimerMoverOP

ZincSiteFinderCOP

typedef utility::pointer::shared_ptr< ZincSiteFinder const > protocols::metal_interface::ZincSiteFinderCOP

ZincSiteFinderOP

typedef utility::pointer::shared_ptr< ZincSiteFinder > protocols::metal_interface::ZincSiteFinderOP

Function Documentation

dump_chis()

void protocols::metal_interface::dump_chis

(

core::conformation::Residue const &

res

)

local helper function

References core::conformation::Residue::chi(), core::conformation::Residue::nchi(), and protocols::TR().

Referenced by protocols::metal_interface::ZincHeterodimerMover::apply().

find_closest_atom()

std::string protocols::metal_interface::find_closest_atom	(	core::conformation::Residue const &	res,
		core::Vector const &	xyz
	)

References core::conformation::Residue::atom_name(), core::conformation::Residue::atom_type(), core::chemical::AtomType::element(), core::conformation::Residue::first_sidechain_atom(), core::conformation::Residue::is_virtual(), core::conformation::Residue::nheavyatoms(), protocols::kinmatch::xyz(), and core::conformation::Residue::xyz().

Referenced by protocols::metal_interface::ZincSiteFinder::find_zinc_site().

operator<<()

std::ostream & protocols::metal_interface::operator<<	(	std::ostream &	os,
		RemoveMetalConnectionsMover const &	mover
	)

References protocols::metal_interface::RemoveMetalConnectionsMover::show().