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.