BALL  1.4.1
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Public Member Functions
BALL::AmberEvaluation Class Reference

#include <BALL/STRUCTURE/DOCKING/amberEvaluation.h>

Inheritance diagram for BALL::AmberEvaluation:
BALL::ForceFieldEvaluation BALL::EnergeticEvaluation

List of all members.

Public Member Functions

 AmberEvaluation ()
 AmberEvaluation (AmberFF &ff)
 AmberEvaluation (AmberFF &ff, Options &option)
virtual ~AmberEvaluation ()
void setForceField (ForceField &ff)
void setOptions (const Options &options)
ForceFieldgetForceField ()
const ForceFieldgetForceField () const
OptionsgetOptions ()
const OptionsgetOptions () const

Detailed Description

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

Definition at line 26 of file amberEvaluation.h.


Constructor & Destructor Documentation


Member Function Documentation

Reimplemented from BALL::ForceFieldEvaluation.

Reimplemented from BALL::ForceFieldEvaluation.

Reimplemented from BALL::ForceFieldEvaluation.

Reimplemented from BALL::ForceFieldEvaluation.

Operations

Reimplemented from BALL::ForceFieldEvaluation.

void BALL::AmberEvaluation::setOptions ( const Options options)

Reimplemented from BALL::ForceFieldEvaluation.

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