OEWriteMDLFileΒΆ

void OEWriteMDLFile(oemolostream &ofs, OEMolBase &mol,
                    unsigned int flavor=OEOFlavor::MDL::DEFAULT)

Writes the molecule as a MDL mol format file to the output stream ‘ofs’. A number of different MDL format variants from the are supported by the use of ‘flavor’ parameter from the OEOFlavor_MDL namespace.

By default, only molecules with more than 999 atoms or enhanced stereo groups will be written in V3000 format. The OEOFlavor_MDL_MV30 flavor can be used to force all molecules to be written in the V3000 format.