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EnergeticEvaluation Class Reference
[Docking of molecular structures]

Base class for energetic evaluators of docking results. More...

#include <energeticEvaluation.h>

Inheritance diagram for EnergeticEvaluation:

ForceFieldEvaluation RandomEvaluation AmberEvaluation List of all members.

Public Member Functions

virtual std::vector< ConformationSet::Conformation > operator() (ConformationSet &conformations)
 Operations.

Detailed Description

Base class for energetic evaluators of docking results.

This trivial class will return the identity scoring, leaving permutation and score unchanged.