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ihmwg / python-ihm

Python package for handling IHM mmCIF and BinaryCIF files
MIT License
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_ihm_modeling_protocol_details.struct_assembly_description spans multiple lines #63

Closed brindakv closed 2 years ago

brindakv commented 2 years ago

Python-ihm generates mmCIF files where _ihm_modeling_protocol_details.struct_assembly_description spans multiple lines (_item_type.code = text) whereas the IHM-dictionary restricts this data item to a single line with spaces (_item_type.code = line). This data item does not have a foreign key relationship to _ihm_struct_assembly.description.

benmwebb commented 2 years ago

Right, python-ihm doesn't assign a unique value for this; it just uses the description of the Assembly object. I take it you have an example where somebody has provided a multiple-line description for their assembly? python-ihm could just output the first line of this.

brindakv commented 2 years ago

My suggestion would be that this data item not be populated unless a value is explicitly provided by the user (either in the script or in the input mmCIF file). It should not be derived from _ihm_struct_assembly.description.