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ihmwg / python-ihm

Python package for handling IHM mmCIF and BinaryCIF files
MIT License
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"_" as chain name #75

Closed bienchen closed 2 years ago

bienchen commented 2 years ago

According to this one https://github.com/rcsb/py-mmcif/issues/10 , data values starting with a "_" need to be quoted. When using "_" as chain name, it ends up in atom_site.auth_asym_id without quotes. That way, some mmCIF readers can't process the mmCIF file. E.g. Chimera X, when adding quotes manually, it can read the input.

So values starting with "_" should be quoted to comply with the CIF format definition.

bienchen commented 2 years ago

Just tried this commit, can confirm it works as expected and Chimera X can read the file. Thanks a lot!