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ihmwg / python-modelcif

Python package for handling ModelCIF mmCIF and BinaryCIF files
MIT License
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Improving ma_qa_metric_local_pairwise description #39

Closed aozalevsky closed 4 hours ago

aozalevsky commented 6 hours ago

right now ma_qa_metric_local_pairwise doesn't have any details about how complete the data should be. For instance, a PAE matrix is supposed to be a symmetric square matrix. Thus, only an upper triangular matrix should be enough. I guess the initial definition was intentionally generic, but maybe we can extend the category description with some case-specific (like PAE) details. To give some guidance for software developers.

This came up as a part of the discussion in https://github.com/chaidiscovery/chai-lab/issues/52

aozalevsky commented 4 hours ago

Re-created in https://github.com/ihmwg/ModelCIF/issues/19, so closing this one.