1 #ifndef BALL_QSAR_NMRDESCRIPTORS_H 2 #define BALL_QSAR_NMRDESCRIPTORS_H 8 #ifndef BALL_DATATYPE_H 12 #ifndef BALL_KERNEL_RESIDUE_H 16 #ifndef BALL_KERNEL_PROTEIN_H 20 #ifndef BALL_KERNEL_ATOMCONTAINER_H 44 HashMap<const Residue*,float>& residue_angles);
69 HashMap<const Residue*,float>& residue_angles);
BALL_EXPORT void calculateResidueChi2Angles(const Protein &protein, HashMap< const Residue *, float > &residue_angles)
BALL_EXPORT void calculateResidueChiAngles(const Protein &protein, HashMap< const Residue *, float > &residue_angles)
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