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samirelanduk / atomium

Python macromolecular parsing (with .pdb/.cif/.mmtf parsing and production)
https://atomium.bio
MIT License
102 stars 19 forks source link

atomium breaks on RCSB generated assembly files #18

Open samirelanduk opened 5 years ago

samirelanduk commented 5 years ago

For some reason, the .cif files for specific assemblies that you can download for assemblies don't have a struct_asym table. atomium needs this table because there is no other way to map atom chain IDs to entity types, so when parsing you get a Key Error.

I am not writing a work around for this now because these assemblies can be generated anyway, but it should be fixed at some point.