> I am a new user of Avogadro. I can execute avogadro using batch scripts. I
> wanted to know where i can find syntax of how to perform minimization in
> avogadro from command prompt without using the interface. I also wanted where
> I can find the documentation which has the commands to be used to execute
> avogadro without the interface.
Well, you can run many things in Avogadro via Python.
But if you're interested in the minimization and other force field tasks,
you'll want to directly use Open Babel:
http://openbabel.org/wiki/Obminimize
http://openbabel.org/docs/dev/Command-line_tools/babel.html#generating-conformers-for-structures
Hope that helps,
-Geoff
---
Prof. Geoffrey Hutchison
Department of Chemistry
University of Pittsburgh
tel: (412) 648-0492
email: geo...@pitt.edu
web: http://hutchison.chem.pitt.edu/
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