Re: [Open Babel] OpenBabel for Python 3?

2016-08-08 Thread Geoffrey Hutchison
> I am fairly new at Python, and am trying to stick to the latest version. > Is it possible to install the Open Babel bindings for Python 3? Yes. I don't know about the pip packages (or Mint ones) but you can do this from source, e.g.:

Re: [Open Babel] Command line help for protonation

2016-08-08 Thread Pascal Muller
Hi, Starting with your smiles, converting "outfile_noH.sdf" to "outfile_H.sdf" with the -p 7.4 option (or an other value) doesn't work for me either. It keeps running, like you said (Open Babel 2.3.2, Linux Ubuntu 14.04). But with this compound with a double bond changed to a single bond, it