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 are
supported by the use of the ‘flavor’ parameter from the
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.