[Open Babel] OpenBabel SMILES to XYZ conversion, update

available in the corresponding Google Play links and in Github repositories. ... Originalnachricht Betreff: Re: [Open Babel] OpenBabel SMILES to XYZ conversion Datum: 2023-08-11 16:43 Von: Alan Liška An: Geoffrey Hutchison Kopie: openbabel-disc...@lists.sf.net Dear Geoff, thank

Re: [Open Babel] OpenBabel SMILES to XYZ conversion

Dear Geoff, thank you for the answer. I´m happy that the most recent versions of Open Babel can handle structures consisting of multiple fragments quite well. However, I found out that in the case of planar fragments like cyclopentadienyl rings in ferrocene obabel -:'[CH-]1C=CC=C1.[CH-]1C=CC

Re: [Open Babel] OpenBabel SMILES to XYZ conversion

Dear Alan, While I don’t quite understand the purpose of converting molecules on an Android phone, of course you can use Open Babel as you wish. A few concerns, however: 1. You mention Open Babel 2.3.1, which is at this point ancient. 2. I would not indicate the SourceForge page as it is

[Open Babel] OpenBabel SMILES to XYZ conversion

Dear OpenBabel developers, me and my friend Veronika Ruzickova focus at porting professional open-source chemistry codes to Android. Already in the past, we published the standalone OpenBabel app (https://play.google.com/store/apps/details?id=cz.jh.openbabel). Recently, we have published 3 ne