Rosetta  2021.16
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Classes | Namespaces
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