[Chimera-users] Get Minimization Energy

Leonard Zhao l84zhao at uwaterloo.ca
Fri Nov 26 08:40:52 PST 2021


I am running a Python script to perform multiple structure minimizations and I need to extract to final potential energy from each minimization. I see that the potential energy is usually reported in the Reply Log, but when IDLE is open, it is instead redirected to IDLE. Is there any way to redirect it back to the Reply Log so I can more easily extract it in my script, or is there some other method to easily extract the energy value programmatically?

Leonard Zhao
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