International
Tables for
Crystallography
Volume G
Definition and exchange of crystallographic data
Edited by S. R. Hall and B. McMahon

International Tables for Crystallography (2006). Vol. G, ch. 3.1, p. 74

Section 3.1.2.2. Reserved prefixes

B. McMahona*

aInternational Union of Crystallography, 5 Abbey Square, Chester CH1 2HU, England
Correspondence e-mail: bm@iucr.org

3.1.2.2. Reserved prefixes

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To guarantee that locally devised data names may be placed without name conflict in interchange data files, authors may register a reserved character string for their sole use. As with the special prefix _[local]_ discussed in Section 3.1.2.1[link], the author's reserved prefix is simply an underscore-bounded string within the data name (i.e. it may not itself include an underscore character). For DDL1 applications it must be the first component of the data name; for DDL2 applications it forms the first component of the data name if describing data names in a category not defined in the official dictionaries; or the first component after the full stop (category delimiter) if the local data name is an extension to an existing category.

Prefixes may be registered online through a web form at http://www.iucr.org/iucr-top/cif/spec/reserved.html . Table 3.1.2.1[link] gives a list of prefixes registered as of March 2005; this list will of course go out of date, but a current list will be maintained on the web at the address above.

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Reserved prefixes for private CIF data names

StringReserved for the use of
anbf Australian National Beamline Facility
asd Active Site Database
B+S Software developers Bernstein + Sons
ccdc Cambridge Crystallographic Data Centre
CCP4 CCP4 program system
cgraph Oxford Cryosystems Crystallographica package
cifdic Register of CIF dictionaries
crystmol CrystMol package
csd Cambridge Structural Database
ebi European Bioinformatics Institute
edchem Edinburgh University Chemistry Department
gsas GSAS powder refinement system
gsk Glaxo Smith Kline
iims EBI project on integration of information about macromolecular structure
iucr IUCr journal use
mdb Model Database (Glaxo)
msd EBI Molecular Structure Database Group
ndb Nucleic Acids Database Project, Rutgers University
oxford CRYSTALS package, University of Oxford
parvati Validation and statistical summaries from PARVATI validation server
pdb Protein Data Bank
pdbx Protein Data Bank exchange dictionary
pdb2cif Additions to mmCIF used by program pdb2cif
rcsb Research Collaboratory for Structural Bioinformatics
shelx SHELXL solution and refinement programs
vrf Validation reply form (IUCr/Acta Crystallographica use)
wdc Entries in the World Directory of Crystallographers
xtal Xtal program system

An example of a data name incorporating a reserved prefix is the listing of a protein amino-acid sequence recorded temporarily by the Protein Data Bank before a protein structure is released, _pdbx_prerelease_seq.seq_one_letter_code.








































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