metal_interface Directory Reference

Directory dependency graph for metal_interface:

Files
file	AddZincSiteConstraints.cc
	Adds metal binding site geometry constraints to pose.
file	AddZincSiteConstraints.fwd.hh
	AddZincSiteConstraints protocol-mover forward declarations header.
file	AddZincSiteConstraints.hh
	Adds metal binding site geometry constraints to pose.
file	FindClosestAtom.cc
	Finds the closest atom in a given residue to a point (usually a zinc atom).
file	FindClosestAtom.hh
	Finds the closest atom in a given residue to a point (usually a zinc atom).
file	MatchGrafter.cc
	Takes a scaffold protein and a match pdb from RosettaMatch, grafts the match onto the protein. For zinc homodimer design, it can then combine two grafted poses by overlaying the zinc atoms.
file	MatchGrafter.fwd.hh
	MatchGrafter protocol-mover forward declarations header.
file	MatchGrafter.hh
	Takes a scaffold protein and a match pdb from RosettaMatch, grafts the match onto the protein. For zinc homodimer design, it can then combine two grafted poses by overlaying the zinc atoms.
file	MetalSiteResidue.cc
	Stores data that describes a metal-coordinating residue.
file	MetalSiteResidue.fwd.hh
	MetalSiteResidue protocol-mover forward declarations header.
file	MetalSiteResidue.hh
	Stores data that describes a metal-coordinating residue.
file	ZincHeterodimerMover.cc
	ZincHeterodimerMover methods implemented - see apps/pilot/rjha/README for details.
file	ZincHeterodimerMover.fwd.hh
	ZincHeterodimerMover protocol-mover forward declarations header.
file	ZincHeterodimerMover.hh
	ZincHeterodimerMover protocol main mover.
file	ZincSiteFinder.cc
	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)
file	ZincSiteFinder.fwd.hh
	ZincSiteFinder protocol-mover forward declarations header.
file	ZincSiteFinder.hh
	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)