On Mon, 2014-02-10 at 14:34 -0500, Geoffrey Hutchison wrote: > I think this is best served by Avogadro 2 and the integrated support for > Molequeue: > http://www.openchemistry.org/OpenChemistry/project/molequeue.html > > Avogadro 2 uses Python modules for computational front-ends (e.g., GAMESS, > Gaussian, NWChem.. potentially Firefly). Molequeue is designed to integrate > with remote computing resources. > > At the moment, Avo2 is in alpha/beta stage and we hope to have a more > complete release in the summer. > > Hope that helps, > -Geoff > > > modules. When I was in university, I tried to generate a Avogadro plugin > > frontend for a custom cluster workstation setup. The idea was to have > > students generate molecules and press a button to submit the job to our > > Firefly server. Unfortunately I couldn't seem to find out how to add a >
Salutations, I'll be glad to work on the Firefly integration if you need help. Regards, Mark -- Mark E. Lee <m...@markelee.com>
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