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View energy from optimization?

Hello, all! I’ve been using the “old” Avogadro for class “demos” in my organic lecture (and for simple molecular modeling assignments for the students), to demonstrate the relative energy of axial vs. equatorial groups in chairs, Newman projections, stereoisomers, etc. This works well, because the energy calculated by the forcefield was visible in the window.

In Avogadro2, I can’t see the output of the minimization calculations. Is there a way to display/retrieve this information? Ideally, in a way that would be easy to instruct students that might not be so technically-savvy to do, as well? Thanks in advance for your help!


It’s a good suggestion. Let me see what I can do for the 1.94 release.

I’m working on a more complete force field framework (which will enable scripts to read from QM programs, etc.) but this should come first…

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Thanks very much! I was heartbroken to see this was gone in Avogadro2, as it was a really great tool for in-class discussion.

@jhorger I was facing same problem. Great job bro. :slightly_smiling_face: