Add modified carbohydrate simulation notebook #3
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And thanks to @NicolaiRee for pointing out that we can minimize in RDKit to fix H positions, and determining that the bad H placement is happening in pdbeccdutils itself. |
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@roshkjr gave a cool demo at the 2024 RDKit UGM about tools for accessing and curating PDBe data. One part of his talk showed loading some super weird carbohydrate molecules into RDKit. So I simulated them.