ihmwg / python-ihm

Python package for handling IHM mmCIF and BinaryCIF files
MIT License
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Implement _ihm_residues_not_modeled #56

Closed danpf closed 3 years ago

danpf commented 3 years ago

Hello, I had to add _ihm_residues_not_modeled to a deposition so here is the code I used to do that. I'm sure that it does not really fit your formatting/structure perfectly but this is mainly just for future reference!

benmwebb commented 3 years ago

Thanks! It's certainly not ready to merge in its current state (no test cases, or support for reading back the data from an mmCIF file). But when I have some time to look at it, I should be able to add that.

brindakv commented 3 years ago

@benmwebb before you merge it, please make sure to change comp_id to 3-letter codes.