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How to allow for the user to run something like crest for the ancillary ligand and provide their own conformers that way (on optionally integrate crest)
Something to make it easier to play through the nodes of a string (e.g. buttons like molden, keyboard shortcut)
Enable visualization to explore structures from which a transition state came (energy for filtered structures set to 200+index)
Extract trajectory from ASE and visualize with molstar
The text was updated successfully, but these errors were encountered:
The text was updated successfully, but these errors were encountered: