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. 3.6, p. 195

Section 3.6.9.3. Other category classifications

P. M. D. Fitzgerald,a* J. D. Westbrook,b P. E. Bourne,c B. McMahon,d K. D. Watenpaughe and H. M. Bermanf

aMerck Research Laboratories, Rahway, New Jersey, USA,bProtein Data Bank, Research Collaboratory for Structural Bioinformatics, Rutgers, The State University of New Jersey, Department of Chemistry and Chemical Biology, 610 Taylor Road, Piscataway, New Jersey, USA,cResearch Collaboratory for Structural Bioinformatics, San Diego Supercomputer Center, University of California, San Diego, 9500 Gilman Drive, La Jolla, CA 92093-0537, USA,dInternational Union of Crystallography, 5 Abbey Square, Chester CH1 2HU, England,eretired; formerly Structural, Analytical and Medicinal Chemistry, Pharmacia Corporation, Kalamazoo, Michigan, USA, and fProtein Data Bank, Research Collaboratory for Structural Bioinformatics, Rutgers, The State University of New Jersey, Department of Chemistry and Chemical Biology, 610 Taylor Road, Piscataway, New Jersey, USA
Correspondence e-mail:  paula_fitzgerald@merck.com

3.6.9.3. Other category classifications

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The following categories, already described elsewhere in this chapter, are included in other formal category groups:

Compliance with earlier dictionaries
COMPLIANCE group
 DATABASE
Compatibility with PDB format files
PDB group
 DATABASE_PDB_CAVEAT
 DATABASE_PDB_MATRIX
 DATABASE_PDB_REMARK
 DATABASE_PDB_REV
 DATABASE_PDB_REV_RECORD
 DATABASE_PDB_TVECT

The COMPLIANCE group includes categories that appear in the mmCIF dictionary for the sole purpose of ensuring compliance with earlier dictionaries. They are not intended for use in the creation of new mmCIFs. As was discussed in Section 3.6.8.3[link], the DATABASE category of the core CIF is replaced in mmCIF by the more structured DATABASE_2 category. Thus the core CIF DATABASE category appears in the mmCIF COMPLIANCE group. At the time of writing (2005), DATABASE is the only category in the COMPLIANCE group.

The PDB group includes a number of categories that record unstructured information imported from various records in Protein Data Bank (PDB) format files. These categories are also part of the DATABASE group and were discussed in Section 3.6.8.3.2[link].[link]








































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