Hello all,
I have a list of SMILES indicating stereochemistry in excel. I need to do energy minimization on them using Avogadro in UFF Force Field, 4 steps aand Steepest Descent algorithm in the program. How do I do this in batch?
I have a list of 300 molecules, and would have to do them by hand if not in batch. For some reason, my team requires Avogadro. Maybe some script can help?