protocols::metal_interface Namespace Reference

Classes
class	AddZincSiteConstraints
	Add metalsite geometry constraints to pose. More...
class	MatchGrafter
class	MetalSiteResidue
class	ZincHeterodimerMover
class	ZincSiteFinder

Typedefs
typedef utility::pointer::owning_ptr < AddZincSiteConstraints >	AddZincSiteConstraintsOP
typedef utility::pointer::owning_ptr < AddZincSiteConstraints const >	AddZincSiteConstraintsCOP
typedef utility::pointer::owning_ptr < MatchGrafter >	MatchGrafterOP
typedef utility::pointer::owning_ptr < MatchGrafter const >	MatchGrafterCOP
typedef utility::pointer::owning_ptr < MetalSiteResidue >	MetalSiteResidueOP
typedef utility::pointer::owning_ptr < MetalSiteResidue const >	MetalSiteResidueCOP
typedef utility::pointer::owning_ptr < ZincHeterodimerMover >	ZincHeterodimerMoverOP
typedef utility::pointer::owning_ptr < ZincHeterodimerMover const >	ZincHeterodimerMoverCOP
typedef utility::pointer::owning_ptr < ZincSiteFinder >	ZincSiteFinderOP
typedef utility::pointer::owning_ptr < ZincSiteFinder const >	ZincSiteFinderCOP

Functions
std::string	find_closest_atom (core::conformation::Residue const &res, core::Vector const &xyz)
void	dump_chis (core::conformation::Residue const &res)
	local helper function More...

Typedef Documentation

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

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

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

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

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

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

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

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

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

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

Function Documentation

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().

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(), numeric::xyzVector< class >::distance(), core::chemical::AtomType::element(), core::conformation::Residue::first_sidechain_atom(), core::conformation::Residue::is_virtual(), core::conformation::Residue::nheavyatoms(), Warning(), and core::conformation::Residue::xyz().

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