diff --git a/cif_core.dic b/cif_core.dic index 7790eff..f63921a 100644 --- a/cif_core.dic +++ b/cif_core.dic @@ -24141,7 +24141,7 @@ save_ATOM_TYPE _definition.id ATOM_TYPE _definition.scope Category _definition.class Loop - _definition.update 2021-06-29 + _definition.update 2023-07-13 _description.text ; The CATEGORY of data items used to describe atomic type information @@ -24156,7 +24156,7 @@ save_ATOM_TYPE typelist = List() Loop a as atom_site { - type = AtomType ( a.label ) + type = a.type_symbol If( type not in typelist ) typelist ++= type } For type in typelist { @@ -27894,4 +27894,6 @@ save_ Deprecated the _atom_type_scat.versus_stol_list data item. Changed the _type.source attribute of all SU data items to 'Related'. + + Updated dREL evaluation method of the ATOM_TYPE category. ;