> > Not sure if this is relevant, but the PDB file was predictively generated > on AlphaFold. >
Do you think you can share the file or something similar from AlphaFold? Usually bond orders are inferred in PDB files from the residue information. I don’t think I’ve seen actual files from AlphaFold, so I’m not sure what they’re including in the file. Thanks, -Geoff
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