ElectrostaticComplementarityCalculator.hh File Reference

Headers for the Electrostatic Complementarity Calculator. More...

#include <core/scoring/sc/ElectrostaticComplementarityCalculator.fwd.hh>
#include <core/scoring/sc/ShapeComplementarityCalculator.hh>
#include <core/id/AtomID_Map.hh>
#include <core/scoring/PoissonBoltzmannPotential.hh>

Classes
struct	core::scoring::sc::ElectrostaticComplementarityResults
class	core::scoring::sc::ElectrostaticComplementarityCalculator

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

Variables
static const Size	core::scoring::sc::ElectrostaticComplementarityDefaults::IGNORE_RADIUS = 20
static const Real	core::scoring::sc::ElectrostaticComplementarityDefaults::INTERFACE_TRIM_RADIUS = 1.5
static const bool	core::scoring::sc::ElectrostaticComplementarityDefaults::PARTIALLY_SOLVATED = true
static const bool	core::scoring::sc::ElectrostaticComplementarityDefaults::IGNORE_RADIUS_RESOLUTION = 1

Detailed Description

Headers for the Electrostatic Complementarity Calculator.

Author

Brian Coventry (bcov@.nosp@m.uw.e.nosp@m.du)

Based on the method from McCoy, A. J., Epa, V. C., & Colman, P. M. (1997). Electrostatic complementarity at protein/protein interfaces1. Journal of molecular biology, 268(2), 570-584.