ZincSiteFinder.cc File Reference

Searches pose for a zinc residue, then fills a vector of MetalSiteResidue objects with info including sequence position of coordinating sidechains, ligand atom xyz, ligand atom name, and atom ids to provide a convenient way for protocols to add metalsite constraints (ligand refers to protein sidechains) More...

#include <protocols/metal_interface/ZincSiteFinder.hh>
#include <protocols/metal_interface/MetalSiteResidue.hh>
#include <protocols/metal_interface/FindClosestAtom.hh>
#include <core/pose/Pose.hh>
#include <core/chemical/ResidueConnection.hh>
#include <core/conformation/Residue.hh>
#include <core/id/AtomID.hh>
#include <numeric/xyzVector.hh>
#include <numeric/xyzVector.io.hh>
#include <utility/exit.hh>
#include <utility/vector1.hh>
#include <basic/Tracer.hh>

Namespaces
	protocols
	The instance of Loops contained by AbrelaxApplication should be replaced by a LoopsOP.
	protocols::metal_interface

Typedefs
typedef numeric::xyzVector < core::Real >	point

Functions
static thread_local basic::Tracer	TR ("protocols.metal_interface.ZincSiteFinder")

Detailed Description

Searches pose for a zinc residue, then fills a vector of MetalSiteResidue objects with info including sequence position of coordinating sidechains, ligand atom xyz, ligand atom name, and atom ids to provide a convenient way for protocols to add metalsite constraints (ligand refers to protein sidechains)

Author

Bryan Der

Typedef Documentation

typedef numeric::xyzVector<core::Real> point

Function Documentation

static thread_local basic::Tracer TR ( "protocols.metal_interface.ZincSiteFinder"  )

static