ZincSiteFinder.hh 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.fwd.hh>
#include <protocols/metal_interface/MetalSiteResidue.fwd.hh>
#include <utility/pointer/ReferenceCount.hh>
#include <utility/vector1.hh>
#include <core/types.hh>
#include <core/pose/Pose.fwd.hh>

Classes
class	protocols::metal_interface::ZincSiteFinder

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

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