[Rdkit-discuss] Generating .rxn and/or .rdf fiiles from reaction smiles
Open-Source Cheminformatics and Machine Learning
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From: Markus G. <mar...@go...> - 2019-09-03 09:59:42
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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 |