InteractionEnergyMetric.cc File Reference

Calculate the interaction energy between residues in two ResidueSelectors in a single pose, including long-range interactions. More...

#include <core/simple_metrics/metrics/InteractionEnergyMetric.hh>
#include <core/simple_metrics/simple_metric_creators.hh>
#include <core/simple_metrics/RealMetric.hh>
#include <core/simple_metrics/util.hh>
#include <core/select/residue_selector/ResidueSelector.hh>
#include <core/select/residue_selector/util.hh>
#include <core/select/util.hh>
#include <core/pose/Pose.hh>
#include <core/scoring/Energies.hh>
#include <core/scoring/EnergyGraph.hh>
#include <core/scoring/ScoreType.hh>
#include <core/scoring/methods/Methods.hh>
#include <core/scoring/LREnergyContainer.hh>
#include <core/scoring/ScoreFunction.hh>
#include <core/scoring/ScoreFunctionFactory.hh>
#include <core/scoring/xml_util.hh>
#include <basic/Tracer.hh>
#include <basic/citation_manager/UnpublishedModuleInfo.hh>
#include <basic/datacache/DataMap.fwd.hh>
#include <utility/tag/Tag.hh>
#include <utility/string_util.hh>
#include <utility/tag/XMLSchemaGeneration.hh>
#include <utility>

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

Functions
static basic::Tracer	TR ("core.simple_metrics.metrics.InteractionEnergyMetric")

Detailed Description

Calculate the interaction energy between residues in two ResidueSelectors in a single pose, including long-range interactions.

Author

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

Original Logic from InterfaceDeltaEnergetics: John Karanicolas && Roland A. Pache

Function Documentation

TR()

static basic::Tracer TR ( "core.simple_metrics.metrics.InteractionEnergyMetric"  )

static

Referenced by core::simple_metrics::metrics::InteractionEnergyMetric::calculate(), and core::simple_metrics::metrics::InteractionEnergyMetric::parse_my_tag().