Visualizing ORCA scan progress in Avogadro

General Discussion
1

Hi everyone,

Is it possible to track the progress of an ORCA scan directly in Avogadro? I’d like to visualize how the gradient and energy change throughout the steps. If this feature isn’t available yet, I think it would be a great addition to the software!

Thanks

2

If you go to Analyze => Plot Conformers… you should see a plot of energy changes. At the moment, gradients aren’t stored for every frame but that’s on the roadmap.