ElectrostaticSimilarityMetric.cc File Reference

Simple metric for ElectrostaticSimilarityCalculator. More...

#include <core/simple_metrics/composite_metrics/ElectrostaticSimilarityMetric.hh>
#include <core/simple_metrics/composite_metrics/ElectrostaticComplementarityMetric.hh>
#include <core/simple_metrics/simple_metric_creators.hh>
#include <core/simple_metrics/util.hh>
#include <core/types.hh>
#include <core/pose/Pose.hh>
#include <core/select/residue_selector/ResidueSelector.hh>
#include <core/select/residue_selector/util.hh>
#include <core/pose/ref_pose.hh>
#include <basic/datacache/DataMap.hh>
#include <utility/string_util.hh>
#include <basic/Tracer.hh>
#include <utility/tag/Tag.hh>
#include <utility/vector1.hh>
#include <utility/tag/XMLSchemaGeneration.hh>
#include <core/scoring/sc/ElectrostaticSimilarityCalculator.hh>

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

Functions
static basic::Tracer	tr ("core.simple_metrics.composite_metrics.ElectrostaticSimilarityMetric")

Detailed Description

Simple metric for ElectrostaticSimilarityCalculator.

The code closely follows Brian Coventry's implementation of electrostatic complementarity with a added features that in turn is based on the method: McCoy, A. J., Epa, V. C., & Colman, P. M. (1997). Electrostatic complementarity at protein/protein interfaces. Journal of molecular biology, 268(2), 570-584.

Author

Andreas Scheck (andre.nosp@m.as.s.nosp@m.check.nosp@m.@epf.nosp@m.l.ch)

Function Documentation

tr()

static basic::Tracer tr ( "core.simple_metrics.composite_metrics.ElectrostaticSimilarityMetric"  )

static

Referenced by core::simple_metrics::composite_metrics::ElectrostaticSimilarityMetric::calculate(), core::simple_metrics::composite_metrics::ElectrostaticSimilarityMetric::parse_my_tag(), and core::simple_metrics::composite_metrics::ElectrostaticSimilarityMetric::setup_from_selectors().