International
Tables for Crystallography Volume G Definition and exchange of crystallographic data Edited by S. R. Hall and B. McMahon © International Union of Crystallography 2006 |
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
a
Merck 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 |
The following categories, already described elsewhere in this chapter, are included in other formal category groups:
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, 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.