BALL::SideChainOptimizer Class Reference

#include <BALL/DOCKING/COMMON/sideChainOptimizer.h>

Public Member Functions
	SideChainOptimizer (ScoringFunction *sf)
	~SideChainOptimizer ()
void	setFlexibleResidues (const std::set< String > &residues_IDs)
void	optimize ()
void	findFlexibleSideChains (std::set< Residue * > &residues, const double &dist_cutoff, const double &min_B_factor)

Detailed Description

Definition at line 21 of file sideChainOptimizer.h.

Constructor & Destructor Documentation

BALL::SideChainOptimizer::SideChainOptimizer

(

ScoringFunction *

sf

)

BALL::SideChainOptimizer::~SideChainOptimizer

(

)

Member Function Documentation

void BALL::SideChainOptimizer::findFlexibleSideChains	(	std::set< Residue * > &	residues,
		const double &	dist_cutoff,
		const double &	min_B_factor
	)

void BALL::SideChainOptimizer::optimize

(

)

void BALL::SideChainOptimizer::setFlexibleResidues

(

const std::set< String > &

residues_IDs

)