BALL::AmberEvaluation Class Reference
[Docking of molecular structures]

A class for energetic evaluators of docking results using an AMBER force field as scoring function. More...

#include <amberEvaluation.h>

Inheritance diagram for BALL::AmberEvaluation:

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List of all members.

Public Member Functions
	AmberEvaluation (AmberFF &ff)
	AmberEvaluation (AmberFF &ff, Options &option)
void	setForceField (ForceField &ff)
	Operations.
void	setOptions (const Options &options)
ForceField &	getForceField ()
const ForceField &	getForceField () const
Options &	getOptions ()
const Options &	getOptions () const

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Detailed Description

A class for energetic evaluators of docking results using an AMBER force field as scoring function.