OEPerceiveSecondaryStructureΒΆ
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).