PerResidueClashMetric.cc File Reference

A SimpleMetric that calculates the number of atomic clashes per residue using the LJ radius (at 0). Can use a soft radius, which reduces it by 33%. More...

#include <core/simple_metrics/per_residue_metrics/PerResidueClashMetric.hh>
#include <core/simple_metrics/simple_metric_creators.hh>
#include <core/simple_metrics/PerResidueRealMetric.hh>
#include <core/simple_metrics/util.hh>
#include <core/select/residue_selector/ResidueSelector.hh>
#include <core/select/residue_selector/TrueResidueSelector.hh>
#include <core/select/residue_selector/util.hh>
#include <core/select/util.hh>
#include <core/scoring/ScoreFunction.hh>
#include <core/scoring/Energies.hh>
#include <core/scoring/EnergyGraph.hh>
#include <core/scoring/ScoreType.hh>
#include <core/scoring/ScoreTypeManager.hh>
#include <core/conformation/Conformation.hh>
#include <core/chemical/ResidueType.hh>
#include <core/chemical/AtomType.hh>
#include <core/pose/Pose.hh>
#include <core/pose/PDBInfo.hh>
#include <core/id/AtomID.hh>
#include <basic/Tracer.hh>
#include <basic/datacache/DataMap.hh>
#include <utility/tag/Tag.hh>
#include <utility/string_util.hh>
#include <utility/tag/XMLSchemaGeneration.hh>

Namespaces
	core
	A class for reading in the atom type properties.
	core::simple_metrics
	core::simple_metrics::per_residue_metrics

Functions
static basic::Tracer	TR ("core.simple_metrics.per_residue_metrics.PerResidueClashMetric")

Detailed Description

A SimpleMetric that calculates the number of atomic clashes per residue using the LJ radius (at 0). Can use a soft radius, which reduces it by 33%.

Author

Jared Adolf-Bryfogle (jadol.nosp@m.fbr@.nosp@m.gmail.nosp@m..com)

Function Documentation

static basic::Tracer TR ( "core.simple_metrics.per_residue_metrics.PerResidueClashMetric"  )

static

Referenced by core::simple_metrics::per_residue_metrics::PerResidueClashMetric::calculate(), and core::simple_metrics::per_residue_metrics::PerResidueClashMetric::is_clashing().