RDkit Discussion Group, I am interested in generating and assigning AM1-BCC charges to small molecules, preferably in batch mode. I understand this topic has been discussed previously, buthas there been RDkit code written to do this? Since this relies on the results of AM1 calculations, has anyone perhaps written RDkit code to calculate and assign the charges if I have already generated a MOPAC output file by some other means? I greatly appreciate all the capabilities of RDkit, and not to be off-topic, but if someone is aware of a non-RDkit way to generate AM1-BCC charges, that might workfor me. Hence, please let me know. Thank you. Regards, Jim Metz
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