[Rdkit-discuss] Adjusting/neutralising the formal charges on a molecule
Open-Source Cheminformatics and Machine Learning
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From: Gianmarco G. <ghi...@gm...> - 2022-04-08 14:13:59
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Hi all again, I wonder whether there is a way in RDKit to neutralise the charges of compounds such as "[C+]1C2CCCCC2CC2CCCCC12". Specifically, in my case I am dealing with only carbon sequences. Thanks, -- *Gianmarco* |