MetalContactsConstraintGenerator.cc File Reference

This constraint generator takes residue selectors for a residue/residues 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.hh>
#include <protocols/constraint_generator/MetalContactsConstraintGeneratorCreator.hh>
#include <protocols/constraint_generator/ConstraintGeneratorFactory.hh>
#include <core/util/metalloproteins_util.hh>
#include <core/pose/Pose.hh>
#include <core/pose/selection.hh>
#include <core/conformation/Residue.hh>
#include <core/conformation/Atom.hh>
#include <core/id/AtomID.hh>
#include <core/chemical/AtomTypeSet.hh>
#include <core/chemical/AtomType.hh>
#include <core/select/residue_selector/ResidueSelector.hh>
#include <core/select/residue_selector/util.hh>
#include <core/scoring/constraints/Constraint.hh>
#include <core/scoring/constraints/AtomPairConstraint.hh>
#include <core/scoring/constraints/AngleConstraint.hh>
#include <core/scoring/constraints/DihedralConstraint.hh>
#include <core/scoring/constraints/AmbiguousConstraint.hh>
#include <core/scoring/func/HarmonicFunc.hh>
#include <core/scoring/func/CircularHarmonicFunc.hh>
#include <core/chemical/ChemicalManager.hh>
#include <basic/Tracer.hh>
#include <basic/datacache/DataMap.hh>
#include <basic/citation_manager/CitationCollection.hh>
#include <basic/citation_manager/UnpublishedModuleInfo.hh>
#include <utility/tag/Tag.hh>
#include <utility/tag/XMLSchemaGeneration.hh>
#include <utility/vector1.functions.hh>
#include <numeric/conversions.hh>
#include <numeric/xyz.functions.hh>

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

Functions
static basic::Tracer	TR ("protocols.constraint_generator.MetalContactsConstraintGenerator")

Detailed Description

This constraint generator takes residue selectors for a residue/residues 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)

Function Documentation

static basic::Tracer TR ( "protocols.constraint_generator.MetalContactsConstraintGenerator"  )

static