OEMonomerConnectionSmilesFromCXSmiles

Attention

This is a preliminary API and may be improved based on user feedback. It is currently available in C++ and Python.

std::string OEMonomerConnectionSmilesFromCXSmiles(const std::string& monomerCXSmiles,
                                                  const std::vector<std::string>& cappingCXSmiles)

Converts CXSMILES style monomer definition for the OpenEye preferred style.. For example in case of alanine: "[H:1]N[C@@H](C)C(=O)[OH:2]" will be returned for the the "C[C@H](N[*])C([*])=O |$;;;_R1;;_R2;$|" cx-smiles and corresponding "[*][H] |$_R1;$|" and "O[*] |$;_R2$|" capping smiles. If the function fails an empty string will be returned.

Warning

The CXSMILES used in this function shouldn’t contains any features other than the R-group number information.