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atzkenneth / dragonfly_gen

De novo drug design with deep interactome learning
https://doi.org/10.1038/s41467-024-47613-w
GNU Affero General Public License v3.0
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pdb file format #6

Open michellegarcia2000 opened 5 months ago

michellegarcia2000 commented 5 months ago

It seems that the dictionary of atoms and atomids is hardcoded and does not encompass all atomtypes. Would you be please share the list of atom names that are appropriate, so that I may convert my pdb files to the correct atom types?