User 23ba1704ca
16-09-2015 05:53:37
Hello
Whenever we are generating SD files using the ChemAxon API's, is SD file generated in V2000 format or V3000 format?
If not V3000 format, then is it possible to generate SD files in V3000 format and what needs to be done to accomplish that?
Help is much appreciated.
Regards
Ashish Dugar
ChemAxon a202a732bf
16-09-2015 07:59:34
Hi Ashish,
The default format of MDL MOL format export is V2000 for simple molecules, V3000 if the number of atoms
or bonds exceeds 999, in case of reactions with R-groups or if there is
enhanced stereo in the molecule.
To force v3000 format, please, use MolExporter with the following options:
String v3000FormatMolecule = MolExporter.exportToFormat(molecule, "mol:V3");
For more information, please, refer to our documentation at
https://docs.chemaxon.com/display/FF/MDL+MOL+Import+and+Export+Options
Best regards,
Zsuzsa