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ElectrostaticComplementarityMetric.hh File Reference

header file for ElectrostaticComplementarityMetric class More...

#include <core/simple_metrics/composite_metrics/ElectrostaticComplementarityMetric.fwd.hh>
#include <core/simple_metrics/CompositeRealMetric.hh>
#include <core/scoring/sc/ElectrostaticComplementarityCalculator.hh>
#include <core/select/residue_selector/ResidueSelector.fwd.hh>
#include <utility/vector1.fwd.hh>
#include <utility/excn/Exceptions.hh>
#include <utility/vector1.hh>

Classes

class  core::simple_metrics::composite_metrics::ElectrostaticComplementarityMetric
 
class  core::simple_metrics::composite_metrics::EXCN_InitFailed
 Super-simple exception to be thrown when we can't initialize the EC calculator. More...
 
class  core::simple_metrics::composite_metrics::EXCN_CalcFailed
 Super-simple exception to be thrown when the EC calculator fails to compute. More...
 

Namespaces

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

Detailed Description

header file for ElectrostaticComplementarityMetric class

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.