Re: [Open Babel] [EXTERNAL] Re: Problem Converting .cdx files using Pybel

2017-11-20 Thread Stanley P Kolis
Hey Geoff- Thanks for the response. I did file a bug here: https://github.com/openbabel/openbabel/issues/1690 I'm with you on the cdxml, and it does work seamlessly. Then of course, I'm in the position of having to convert a bunch of .cdx files to .cdxml files. FWIW, I did convert the .cdx

Re: [Open Babel] [EXTERNAL] Re: Problem Converting .cdx files using Pybel

2017-11-15 Thread Geoffrey Hutchison
> I have attached a new ChemDraw file with some generic structures in it. This > raises the same error I have seen with the other files. I have also included > a screenshot of the OpenBabel GUI conversion of the same .cdx file. I have seen this before (e.g., inside of Avogadro or other progra

Re: [Open Babel] [EXTERNAL] Re: Problem Converting .cdx files using Pybel

2017-11-15 Thread Noel O'Boyle
Hi Stan, Based on your conversation with Pascal, it sounds like a confirmed bug - are you happy to file it in our issue tracker ( https://github.com/openbabel/openbabel/issues)? I can do it with the info you've provided, but it works better if you do it, as you will get updates when someone fixes

Re: [Open Babel] [EXTERNAL] Re: Problem Converting .cdx files using Pybel

2017-11-13 Thread Pascal Muller
Hi, Replying to the list, I think other may have better answer than mine. Hello Pascal— > > > > Thanks for the response and working through this. > > > > I have responded to your questions below. > > > > Stan > > > > > > > > > *From:* Pascal Muller [mailto:pascal.jm.mul...@gmail.com] > *Sent:*