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Avoid ihm_model_id in atom_site table #48

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tomgoddard opened this issue Oct 26, 2017 · 0 comments
Open

Avoid ihm_model_id in atom_site table #48

tomgoddard opened this issue Oct 26, 2017 · 0 comments

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@tomgoddard
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Currently IHM inserts a new field ihm_model_id into the atom_site table. This complicates code that reads these files because it will likely use an existing mmCIF reader for atom_site that does not know about the ihm_model_id. It might be better to use the atom_site pdbx_PDB_model_num field. That field is necessary in any case to correctly parse the atom_site table into multiple models. The mapping of pdbx_PDB_model_num to ihm_model_id could be another IHM table allowing the IHM extension to be self-contained without injecting fields into categories from other dictionaries.

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