diff --git a/cif_rstr.dic b/cif_rstr.dic index c3ab3d1..8ded095 100644 --- a/cif_rstr.dic +++ b/cif_rstr.dic @@ -15,7 +15,7 @@ data_CIF_RSTR _dictionary.title CIF_RSTR _dictionary.class Instance _dictionary.version 3.1.1 - _dictionary.date 2026-01-19 + _dictionary.date 2026-01-23 _dictionary.uri ;\ https://raw.githubusercontent.com/COMCIFS/Restraints_Dictionary/main/\ @@ -166,7 +166,7 @@ save_restr_angle.atom_site_label_1 _name.category_id restr_angle _name.object_id atom_site_label_1 - _import.get [{'file':templ_attr.cif 'save':restr_label}] + _import.get [{'file':templ_attr.cif 'save':atom_site_id}] save_ @@ -177,7 +177,7 @@ save_restr_angle.atom_site_label_2 _name.category_id restr_angle _name.object_id atom_site_label_2 - _import.get [{'file':templ_attr.cif 'save':restr_label}] + _import.get [{'file':templ_attr.cif 'save':atom_site_id}] save_ @@ -188,7 +188,7 @@ save_restr_angle.atom_site_label_3 _name.category_id restr_angle _name.object_id atom_site_label_3 - _import.get [{'file':templ_attr.cif 'save':restr_label}] + _import.get [{'file':templ_attr.cif 'save':atom_site_id}] save_ @@ -342,7 +342,7 @@ save_restr_distance.atom_site_label_1 _name.category_id restr_distance _name.object_id atom_site_label_1 - _import.get [{'file':templ_attr.cif 'save':restr_label}] + _import.get [{'file':templ_attr.cif 'save':atom_site_id}] save_ @@ -353,7 +353,7 @@ save_restr_distance.atom_site_label_2 _name.category_id restr_distance _name.object_id atom_site_label_2 - _import.get [{'file':templ_attr.cif 'save':restr_label}] + _import.get [{'file':templ_attr.cif 'save':atom_site_id}] save_ @@ -530,7 +530,7 @@ save_restr_distance_min.atom_site_label_1 _name.category_id restr_distance_min _name.object_id atom_site_label_1 - _import.get [{'file':templ_attr.cif 'save':restr_label}] + _import.get [{'file':templ_attr.cif 'save':atom_site_id}] save_ @@ -541,7 +541,7 @@ save_restr_distance_min.atom_site_label_2 _name.category_id restr_distance_min _name.object_id atom_site_label_2 - _import.get [{'file':templ_attr.cif 'save':restr_label}] + _import.get [{'file':templ_attr.cif 'save':atom_site_id}] save_ @@ -757,7 +757,7 @@ save_restr_equal_angle.atom_site_label_1 _name.category_id restr_equal_angle _name.object_id atom_site_label_1 - _import.get [{'file':templ_attr.cif 'save':restr_label}] + _import.get [{'file':templ_attr.cif 'save':atom_site_id}] save_ @@ -768,7 +768,7 @@ save_restr_equal_angle.atom_site_label_2 _name.category_id restr_equal_angle _name.object_id atom_site_label_2 - _import.get [{'file':templ_attr.cif 'save':restr_label}] + _import.get [{'file':templ_attr.cif 'save':atom_site_id}] save_ @@ -779,7 +779,7 @@ save_restr_equal_angle.atom_site_label_3 _name.category_id restr_equal_angle _name.object_id atom_site_label_3 - _import.get [{'file':templ_attr.cif 'save':restr_label}] + _import.get [{'file':templ_attr.cif 'save':atom_site_id}] save_ @@ -1036,7 +1036,7 @@ save_restr_equal_distance.atom_site_label_1 _name.category_id restr_equal_distance _name.object_id atom_site_label_1 - _import.get [{'file':templ_attr.cif 'save':restr_label}] + _import.get [{'file':templ_attr.cif 'save':atom_site_id}] save_ @@ -1047,7 +1047,7 @@ save_restr_equal_distance.atom_site_label_2 _name.category_id restr_equal_distance _name.object_id atom_site_label_2 - _import.get [{'file':templ_attr.cif 'save':restr_label}] + _import.get [{'file':templ_attr.cif 'save':atom_site_id}] save_ @@ -1300,7 +1300,7 @@ save_restr_equal_torsion.atom_site_label_1 _name.category_id restr_equal_torsion _name.object_id atom_site_label_1 - _import.get [{'file':templ_attr.cif 'save':restr_label}] + _import.get [{'file':templ_attr.cif 'save':atom_site_id}] save_ @@ -1311,7 +1311,7 @@ save_restr_equal_torsion.atom_site_label_2 _name.category_id restr_equal_torsion _name.object_id atom_site_label_2 - _import.get [{'file':templ_attr.cif 'save':restr_label}] + _import.get [{'file':templ_attr.cif 'save':atom_site_id}] save_ @@ -1322,7 +1322,7 @@ save_restr_equal_torsion.atom_site_label_3 _name.category_id restr_equal_torsion _name.object_id atom_site_label_3 - _import.get [{'file':templ_attr.cif 'save':restr_label}] + _import.get [{'file':templ_attr.cif 'save':atom_site_id}] save_ @@ -1333,7 +1333,7 @@ save_restr_equal_torsion.atom_site_label_4 _name.category_id restr_equal_torsion _name.object_id atom_site_label_4 - _import.get [{'file':templ_attr.cif 'save':restr_label}] + _import.get [{'file':templ_attr.cif 'save':atom_site_id}] save_ @@ -2328,7 +2328,7 @@ save_restr_torsion.atom_site_label_1 _name.category_id restr_torsion _name.object_id atom_site_label_1 - _import.get [{'file':templ_attr.cif 'save':restr_label}] + _import.get [{'file':templ_attr.cif 'save':atom_site_id}] save_ @@ -2339,7 +2339,7 @@ save_restr_torsion.atom_site_label_2 _name.category_id restr_torsion _name.object_id atom_site_label_2 - _import.get [{'file':templ_attr.cif 'save':restr_label}] + _import.get [{'file':templ_attr.cif 'save':atom_site_id}] save_ @@ -2350,7 +2350,7 @@ save_restr_torsion.atom_site_label_3 _name.category_id restr_torsion _name.object_id atom_site_label_3 - _import.get [{'file':templ_attr.cif 'save':restr_label}] + _import.get [{'file':templ_attr.cif 'save':atom_site_id}] save_ @@ -2361,7 +2361,7 @@ save_restr_torsion.atom_site_label_4 _name.category_id restr_torsion _name.object_id atom_site_label_4 - _import.get [{'file':templ_attr.cif 'save':restr_label}] + _import.get [{'file':templ_attr.cif 'save':atom_site_id}] save_ @@ -2568,7 +2568,7 @@ save_restr_u_rigid.atom_site_label_1 _name.category_id restr_u_rigid _name.object_id atom_site_label_1 - _import.get [{'file':templ_attr.cif 'save':restr_label}] + _import.get [{'file':templ_attr.cif 'save':atom_site_id}] save_ @@ -2579,7 +2579,7 @@ save_restr_u_rigid.atom_site_label_2 _name.category_id restr_u_rigid _name.object_id atom_site_label_2 - _import.get [{'file':templ_attr.cif 'save':restr_label}] + _import.get [{'file':templ_attr.cif 'save':atom_site_id}] save_ @@ -2724,7 +2724,7 @@ save_restr_u_similar.atom_site_label_1 _name.category_id restr_u_similar _name.object_id atom_site_label_1 - _import.get [{'file':templ_attr.cif 'save':restr_label}] + _import.get [{'file':templ_attr.cif 'save':atom_site_id}] save_ @@ -2735,7 +2735,7 @@ save_restr_u_similar.atom_site_label_2 _name.category_id restr_u_similar _name.object_id atom_site_label_2 - _import.get [{'file':templ_attr.cif 'save':restr_label}] + _import.get [{'file':templ_attr.cif 'save':atom_site_id}] save_ @@ -2801,7 +2801,7 @@ save_ Initial CIF2 version created from STAR2 version provided by Syd Hall (J Hester) ; - 3.1.1 2026-01-19 + 3.1.1 2026-01-23 ; Fixed a CIF2 syntax error. @@ -2824,4 +2824,6 @@ save_ clarified the interpretation of the enumeration details in _restr_parameter_class.parameter_type (e.g. 'atom_site.occupancy' -> 'Value of _atom_site.occupancy'). (bm) + + 2026-01-23: Replaced 'restr_label' imports with 'atom_site_id' imports. ;