[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

X-.so names although they are not libraries - like obabel is renamed here to libobabel.so although it is a static executable (due to Google Android policy) I also updated the info on Open Babel sources inside of the app - the sourceforge entry was removed. I´m looking forward to hearing from yo

[Open Babel] OpenBabel SMILES to XYZ conversion

e other hand, I could imagine that there would be a function to define the distance of both molecular centres manually e.g. in form of a switch. Don´t you consider to implement something like that in the future versions of OpenBabel? Thanks in advance for the answer. Sincerely, Alan -- RNDr

[Open Babel] obabel 3.x

I'm throwing all kinds of wrong pdb to obabel but it only shows warnings and always exit status 0. Is that correct? Is there an option I can get exit status <> 0 whenever a warning shows up? -- Alan Silva ___ OpenBabel-discuss mailing lis

[Open Babel] openbabel python binding for macOS

Hi there, Ok, brew install open-babel got me obabel, but I need the python openbabel. How to get it? thanks in advance -- Alan ___ OpenBabel-discuss mailing list OpenBabel-discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo

[Open Babel] OPENBABEL on Android - license request

forward to your answer. King Regards, Alan Am 2018-06-25 19:48, schrieb Geoffrey Hutchison: We have no connection to that software and I doubt it has a well-defined license. I guess my question would be whether there's a particular reason to use that rather than a current version of

[Open Babel] Babel 1.05 on Android

, Alan Liška -- RNDr. Alan Liška, Ph.D. === Ústav fyzikální chemie J. Heyrovského AV ČR, v.v.i. Dolejškova 2155/3, 18223, Praha 8, ČR === J. Heyrovský Institute of Physical Chemistry of the CAS, v.v.i. Dolejškova 2155/3, 18223