11 Oct
2024
11 Oct
'24
9:38 a.m.
Dear Tom, Checking out the daily build, I noticed that files without local-pairwise values do not have a clean error handling anymore. E.g. "open ma-asfv-asfvg-001 from modelarchive pae true" is an example of a file without local-pairwise values and fails at "metric_id = met_ids[0] if met_ids else values[0][5]" because met_ids is empty in that case... Also there is a caveat for files like ma-tbvar3d-15 which include a non-polymer. There I think that "alphafold pae" expects per-atom PAE values for the non-polymer and so we end up with a PAE JSON file with a wrongly sized matrix. That one is an edge case within ModelArchive and so it can be considered low priority until we properly handle AF3 PAE matrices in ModelCIF. Regards, Gerardo