Re: [Rdkit-discuss] IUPAC nomenclature

2013-06-11 Thread Greg Landrum
Hi Adrian, Before starting answering your question, a request: please remember that answers on this list are coming from people volunteering their time, so answers may not come immediately. Please wait a few days before repeating a question. On Tue, Jun 11, 2013 at 11:06 AM, Adrian Jasiński wrot

[Rdkit-discuss] IUPAC nomenclature

2013-06-11 Thread Adrian Jasiński
Is there a way to converting IUPAC nomenclature into SMILES, InChI, or Molfile formats? I didn't found any clues in RDKit Documentation. it would be nice if you can add such functionality. Fast way for that can be using OPSIN library: https://bitbucket.org/dan2097/opsin/ http://opsin.ch.cam.ac.u

[Rdkit-discuss] IUPAC nomenclature

2013-06-10 Thread Adrian Jasiński
Is there a way to converting IUPAC nomenclature into SMILES, InChI, or Molfile formats? I didn't found any clues in RDKit Documentation. it would be nice if you can add such functionality. Fast way for that can be using OPSIN library: https://bitbucket.org/dan2097/opsin/ http://opsin.ch.cam.ac.u