AddZincSiteConstraints.hh File Reference

Adds metal binding site geometry constraints to pose. More...

#include <protocols/metal_interface/AddZincSiteConstraints.fwd.hh>
#include <protocols/metal_interface/MetalSiteResidue.fwd.hh>
#include <core/scoring/constraints/AtomPairConstraint.hh>
#include <core/scoring/constraints/AngleConstraint.hh>
#include <core/scoring/constraints/DihedralConstraint.hh>
#include <core/pose/Pose.fwd.hh>
#include <core/types.hh>
#include <utility/VirtualBase.hh>
#include <utility/vector1.hh>

Classes
class	protocols::metal_interface::AddZincSiteConstraints
	Add metalsite geometry constraints to pose. More...

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

Detailed Description

Adds metal binding site geometry constraints to pose.

I typically work with zinc binding sites having tetrahedral coordination geometry, in which case there are 4 distance constraints, 4 angle constraints, 6 tetrahedral constraints, and 4 dihedral constraints. The code is flexibile enough to accommodate 2, 3, or 4-residue metal binding sites.

Author

Bryan Der