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
28 void setFlexibleResidues(
const std::set<String>& residues_IDs);
32 void findFlexibleSideChains(std::set<Residue*>&
residues,
const double& dist_cutoff,
const double& min_B_factor);
41 list<Residue*> residues_;
BALL_EXPORT ResidueList residues(const AtomContainer &fragment, bool selected_only=false)
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