ElectrostaticSimilarityCalculator.hh File Reference

Headers for the ElectrostaticSimilarityCalculator. More...

#include <core/scoring/sc/ElectrostaticSimilarityCalculator.fwd.hh>
#include <core/scoring/sc/ShapeSimilarityCalculator.hh>
#include <core/id/AtomID_Map.hh>
#include <core/scoring/PoissonBoltzmannPotential.hh>
#include <core/select/residue_selector/ResidueSelector.fwd.hh>

Classes
struct	core::scoring::sc::ElectrostaticSimilarityResults
class	core::scoring::sc::ElectrostaticSimilarityCalculator

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

Variables
static const bool	core::scoring::sc::ElectrostaticSimilarityDefaults::PARTIALLY_SOLVATED = false
static const bool	core::scoring::sc::ElectrostaticSimilarityDefaults::IGNORE_RADIUS_RESOLUTION = 1

Detailed Description

Headers for the 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)