MetalContactsConstraintGenerator.hh File Reference

This constraint generator takes residue selectors for a residue containing metal ion(s) and for residue(s) for which to set up contacts. It allows users to specify which base atoms will be used to define angles/dihedrals to constrain; ideal values for angles/dihedrals/distances; and an option to constrain to native values. More...

#include <protocols/constraint_generator/MetalContactsConstraintGenerator.fwd.hh>
#include <protocols/constraint_generator/ConstraintGenerator.hh>
#include <core/types.hh>
#include <core/pose/Pose.fwd.hh>
#include <core/scoring/constraints/Constraint.fwd.hh>
#include <core/select/residue_selector/ResidueSelector.fwd.hh>
#include <utility/pointer/owning_ptr.hh>
#include <utility/VirtualBase.hh>
#include <utility/tag/XMLSchemaGeneration.fwd.hh>
#include <set>

Classes
class	protocols::constraint_generator::MetalContactsConstraintGenerator
	This constraint generator takes residue selectors for a residue containing metal ion(s) and for residue(s) for which to set up contacts. It allows users to specify which base atoms will be used to define angles/dihedrals to constrain; ideal values for angles/dihedrals/distances; and an option to constrain to native values. More...

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

Detailed Description

This constraint generator takes residue selectors for a residue containing metal ion(s) and for residue(s) for which to set up contacts. It allows users to specify which base atoms will be used to define angles/dihedrals to constrain; ideal values for angles/dihedrals/distances; and an option to constrain to native values.

Author

guffysl (guffy.nosp@m.@ema.nosp@m.il.un.nosp@m.c.ed.nosp@m.u)