BindingSiteConstraint.cc File Reference

This constrains some set of three or more atoms to maintain the same geometry as the starting pose. Constrainted binding sites are read in using the ConstraintIO class (maybe only with the defunct section-based constraints?) Binding-site constraints use the same weight as atom-pair constraints, and (should) work with any protocol where atom-pair constraints are respected. Constraints on sidechain atoms are automatically converted to constraints on centroids when performing centroid-level manipulation. More...

#include <protocols/constraints_additional/BindingSiteConstraint.hh>
#include <core/scoring/constraints/Constraint.hh>
#include <core/scoring/func/XYZ_Func.hh>
#include <core/scoring/ScoreType.hh>
#include <core/scoring/EnergyMap.hh>
#include <core/pose/Pose.hh>
#include <core/id/AtomID.hh>
#include <core/chemical/ResidueType.hh>
#include <numeric/model_quality/rms.hh>
#include <utility>
#include <basic/Tracer.hh>
#include <core/chemical/ChemicalManager.fwd.hh>
#include <core/id/SequenceMapping.hh>
#include <core/util/SwitchResidueTypeSet.hh>
#include <utility/vector1.hh>
#include <core/conformation/Residue.hh>
#include <numeric/xyzMatrix.hh>
#include <ObjexxFCL/FArray1D.hh>

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

Functions
static basic::Tracer	tr ("protocols.constraints_additional.BindingSiteConstraint")
	File format example: More...

Detailed Description

This constrains some set of three or more atoms to maintain the same geometry as the starting pose. Constrainted binding sites are read in using the ConstraintIO class (maybe only with the defunct section-based constraints?) Binding-site constraints use the same weight as atom-pair constraints, and (should) work with any protocol where atom-pair constraints are respected. Constraints on sidechain atoms are automatically converted to constraints on centroids when performing centroid-level manipulation.

Author

Frank DiMaio (?)

Function Documentation

tr()

static basic::Tracer tr ( "protocols.constraints_additional.BindingSiteConstraint"  )

static

File format example:

Referenced by protocols::constraints_additional::BindingSiteConstraint::read_def().