OESetPackingResiduePropertiesΒΆ

Attention

This API is currently available in C++ and Python.

void OESetPackingResidueProperties(OEChem::OEMolBase &packingMol,
                                  const std::vector<std::string> &existingChainIDs)

This function takes an input OEMolBase (packingMol) and a std::vector of chain ID strings (existingChainIDs), and applies them to the crystal packing molecule.