Hello All,
I’ve recently started using Avogadro’s Molecular Mechanics capabilities as
an initial guess for quantum chemistry calculations. I was wondering if
Avogadro is a front-end to one of the more popular MM codes or if it
implements MM natively. Also if it is a front-end, what is it a front-end
to? I’ve looked all over the wiki site and I can’t seem to find the info I’m
looking for.
Sincerely,
Yung-Jin
Avogadro is a front-end to one of the more popular MM codes or if it implements MM natively. Also if it is a front-end, what is it a front-end to? I’ve looked all over the wiki site and I can’t seem to find the info I’m looking for.
Avogadro implements MM “natively” – that is, it uses the implementations in Open Babel.
Hope that helps,
-Geoff
Prof. Geoffrey Hutchison
Assistant Professor, Department of Chemistry
University of Pittsburgh
http://hutchison.chem.pitt.edu/
Office: (412) 648-0492