ElectrostaticSimilarityCalculator.cc File Reference

Headers for the Electrostatic Similarity Calculator. More...

#include <core/scoring/sc/ElectrostaticSimilarityCalculator.hh>
#include <core/select/residue_selector/ResidueVector.hh>
#include <core/pose/Pose.hh>
#include <core/pose/init_id_map.hh>
#include <core/conformation/Residue.hh>
#include <numeric/statistics/functions.hh>
#include <basic/Tracer.hh>
#include <utility/file/file_sys_util.hh>
#include <utility/string_util.hh>
#include <core/scoring/PoissonBoltzmannPotential.hh>
#include <core/select/residue_selector/ResidueSelector.hh>

Namespaces
	core
	A class for reading in the atom type properties.
	core::scoring
	core::scoring::sc

Functions
static basic::Tracer	TR ("core.scoring.sc.ElectrostaticSimilarityCalculator")

Detailed Description

Headers for the Electrostatic Similarity Calculator.

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.scoring.sc.ElectrostaticSimilarityCalculator"  )

static