Ooh, sorry - I see it didn’t get into the docs. :-(

You can just say:

.. --gen3d fastest

The levels are:
fastest
fast
med or medium
slow or better
slowest or best

The different levels correspond to different # of conformers and optimization 
steps. For example fastest will skip conformer generation.

Hope that helps,
-Geoff

> On Sep 24, 2016, at 3:20 AM, Giovanni Cincilla <gcinci...@gmail.com> wrote:
> 
> Wonderful news! It seems a big step forward. Congrats to you all guys!
> I would have a question about it. In the SourceForge page one of the
> reported new feature/improvment is:
> 
> '3D generation: "--gen3d", allow user to specify the desired speed/quality'
> 
> I would be interested in exploring such a possibility. How can the
> speed/quality can be specified? I cannot find this in the general obabel
> Help (i.e. typing “obabel -H” or “obabel -L gen3D”).
> Thanks in advance!
> 
> 
> 
> --
> View this message in context: 
> http://forums.openbabel.org/ANNOUNCE-Open-Babel-2-4-0-Released-tp4659490p4659498.html
> Sent from the General discussion mailing list archive at Nabble.com.
> 
> ------------------------------------------------------------------------------
> _______________________________________________
> OpenBabel-discuss mailing list
> OpenBabel-discuss@lists.sourceforge.net
> https://lists.sourceforge.net/lists/listinfo/openbabel-discuss


------------------------------------------------------------------------------
_______________________________________________
OpenBabel-discuss mailing list
OpenBabel-discuss@lists.sourceforge.net
https://lists.sourceforge.net/lists/listinfo/openbabel-discuss

Reply via email to