Rosetta  2021.16
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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/Func.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 <core/chemical/ResidueTypeSet.hh>
#include <numeric/model_quality/rms.hh>
#include <utility>
#include <utility/string_util.hh>
#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 <numeric/xyz.functions.hh>
#include <core/conformation/Residue.hh>
#include <core/kinematics/Jump.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

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