5 #ifndef BALL_DOCKING_COMMON_SIDECHAINOPTIMIZER
6 #define BALL_DOCKING_COMMON_SIDECHAINOPTIMIZER
8 #ifndef BALL_SCORING_COMMON_SCORINGFUNCTION_H
12 #ifndef BALL_STRUCTURE_ROTAMERLIBRARY_H
41 list<Residue*> residues_;
BALL_EXPORT ResidueList residues(const AtomContainer &fragment, bool selected_only=false)
void findFlexibleSideChains(std::set< Residue * > &residues, const double &dist_cutoff, const double &min_B_factor)
SideChainOptimizer(ScoringFunction *sf)
void setFlexibleResidues(const std::set< String > &residues_IDs)