OEPerceiveSecondaryStructure

bool OEPerceiveSecondaryStructure(OEChem::OEMolBase& mol,
                                  bool force = false)

Calculates secondary structure for a protein molecule and stores the values into the OEResidue objects associated with each atom in the protein. Returns false if no secondary structure assignments were made (e.g., when passed a non-protein molecule). mol must have 3D coordinates assigned.