ihmwg / python-ihm

Python package for handling IHM mmCIF and BinaryCIF files
MIT License
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Segment for StartingModel is incorrect #55

Closed benmwebb closed 3 years ago

benmwebb commented 3 years ago

@brindakv reports that if a starting model's templates do not cover the entire sequence (e.g. C- or N-termini are modeled without a template) then python-ihm outputs the wrong seq_id range for _ihm_starting_model_details.entity_poly_segment_id.

StartingModel._get_seq_id_range_all_templates() appears to be working as designed but the design is to report only the range covered by templates. I think this is a holdover from old versions of the dictionary where template information was reported in this table. For modern usage this function seems unnecessary; we should just use StartingModel.asym_unit as the seq_id range.