Dear all, I'm trying to generate .rxn files or one single .rdf file from a csv file where I have a bunch of reactions smiles stored. I know how to instantiate a rxn object but I no idea how to safe this to several .rxn files or a RDF file.
I already asked this question last Friday but unfortunately I did not receive any answer. So I'm wondering is it even possible? Thank you very much for your support. Best regards, Markus
_______________________________________________ Rdkit-discuss mailing list Rdkit-discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/rdkit-discuss