Chains are not assigned to ligands in mmCIF files where label_asym_id and auth_asym_id are swapped

samirelanduk / atomium

Python macromolecular parsing (with .pdb/.cif/.mmtf parsing and production)

https://atomium.bio

MIT License

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Chains are not assigned to ligands in mmCIF files where label_asym_id and auth_asym_id are swapped #23

Open samirelanduk opened 5 years ago

samirelanduk commented 5 years ago

Two examples are 6SG9 and 6SGA. The zinc atoms have no chain associated because the two columns seem to have swapped meaning in these structures. It is unclear if this is an error in the files, or if atomium is making incorrect assumptions.