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Absence of _item.category_id or _item_linked.parent_name in somemmcif definitions

  • Subject: Absence of _item.category_id or _item_linked.parent_name in somemmcif definitions
  • From: Richard Gildea <rgildea@xxxxxxxxx>
  • Date: Wed, 19 Dec 2012 18:32:52 -0800
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Dear All,

Certain definitions in the mmcif dictionary (e.g. _atom_site_anisotrop.id) do not contain the items _item.category_id or _item_linked.parent_name. Without these data items, how is it possible to identify programmatically that _atom_site_anisotrop.id belongs to the _atom_site_anisotrop category and that it is a pointer to _atom_site.id (without examining every save frame?

For quick reference here is the definition in question:
save__atom_site_anisotrop.id
    _item_description.description
;              This data item is a pointer to _atom_site.id in the ATOM_SITE
               category.
;
    _item.name                  '_atom_site_anisotrop.id'
    _item.mandatory_code          yes
    _item_aliases.alias_name    '_atom_site_aniso_label'
    _item_aliases.dictionary      cif_core.dic
    _item_aliases.version         2.0.1
     save_
Cheers,

Richard
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