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symCIF dictionary (DDL2 version) approved

  • Subject: symCIF dictionary (DDL2 version) approved
  • From: Brian McMahon <bm@xxxxxxxx>
  • Date: Sat, 15 Dec 2001 20:41:10 GMT

The IUCr Committee for the Maintenance of the CIF Standard (COMCIFS) has
unanimously approved a dictionary of symmetry data names, written in DDL2,
as presented by the symCIF working group chaired by I. David Brown.

The data names in this dictionary give a more detailed description of
aspects of symmetry than those in the original core dictionary, and will be
recommended for use in future applications. To facilitate incorporation into
small-molecule data files, the working group responsible for this dictionary
will also generate a DDL1 representation of some or all of the included data
names. It is expected that the selected names will be merged with a future
revision of the CIF core dictionary, and Notes for Authors of IUCr journals
may in future be amended to encourage the use of the new data names in
CIFs submitted for publication. Developers of software that handles symmetry
data names should be alive to the possibility of such developments; additional
information will be posted via this list.

The canonical version of the dictionary is located at

There is also a web page where further information will become available at
http://www.iucr.org/iucr-top/cif/symcif/index.html and mirrors.

Congratulations are due to David Brown, Mois Aroyo, Ralf Grosse-Kunstleve,
Vojtech Kopsky, Danny Litvin, Uri Shmueli, Ad Thiers, Gotzon Madariaga, Hans
Wondratschek and other contributors to the discussions of the symcif
working group for their achievement in assembling this dictionary.
Brian McMahon
Coordinating Secretary, COMCIFS
Brian McMahon                                             tel: +44 1244 342878
Research and Development Officer                          fax: +44 1244 314888
International Union of Crystallography                  e-mail:  bm@iucr.ac.uk
5 Abbey Square, Chester CH1 2HU, England                         bm@iucr.org 

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