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GLYCAM-Web / gmml

Glycam Molecular Modeling Library
GNU Lesser General Public License v3.0
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PDBs that contain OXT cannot be preprocessed. OXT causes Unrecognized Atom error #120

Closed danwentworthart closed 1 year ago

danwentworthart commented 2 years ago

I see this when using pdb preprocessor tool to sideload 3UES and 3UET from RCSB.org 3UES_errors

gitoliver commented 1 year ago

Fixed in the new pdbprocessor https://github.com/GLYCAM-Web/gmml/blob/gmml-test/includes/CentralDataStructure/Readers/Pdb/pdbModel.hpp