Dear all, Some years ago, in this list, there was a discussion regarding the possibility of explicitly setting the atom type of an atom in MMFF or UFF (thread: https://sourceforge.net/p/rdkit/mailman/message/31600590/). It is not clear if this functionality made to the code. Does anyone know if it did? Is there and alternative way to enforce an atom type to UFF/MMFF? Eg: by setting with atom names/atomic numbers?
Thank you very much. Sincerely, Luan Carvalho Martins luancarvalhomart...@gmail.com
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