Chapter

Chapter 4.5 Macromolecular dictionary (mmCIF)

Definition and exchange of crystallographic data

First Online Edition (2006)

Part 4. Data dictionaries

  1. P. M. D. Fitzgerald1,
  2. J. D. Westbrook2,
  3. P. E. Bourne3,
  4. B. McMahon4,
  5. K. D. Watenpaugh5,
  6. H. M. Berman6

Published Online: 1 JAN 2006

DOI: 10.1107/97809553602060000745

International Tables for Crystallography

International Tables for Crystallography

How to Cite

Fitzgerald, P. M. D., Westbrook, J. D., Bourne, P. E., McMahon, B., Watenpaugh, K. D. and Berman, H. M. 2006. Macromolecular dictionary (mmCIF). International Tables for Crystallography. G:4:4.5:295–443.

Author Information

  1. 1

    Merck Research Laboratories, Rahway, New Jersey, USA

  2. 2

    Protein 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

  3. 3

    Research Collaboratory for Structural Bioinformatics, San Diego Supercomputer Center, University of California, San Diego, 9500 Gilman Drive, La Jolla, CA 92093-0537, USA

  4. 4

    International Union of Crystallography, 5 Abbey Square, Chester CH1 2HU, England

  5. 5

    retired; formerly Structural, Analytical and Medicinal Chemistry, Pharmacia Corporation, Kalamazoo, Michigan, USA

  6. 6

    Protein 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

Publication History

  1. Published Online: 1 JAN 2006

Abstract

This is version 2.0.09 of the macromolecular CIF dictionary (mmCIF). The history and philosophy of this dictionary are described in Chapter 1.1 and a commentary on its use may be found in Chapter 3.6. The data names defined here include a modified representation of those in the core CIF dictionary (Chapter 4.1).

Keywords:

  • crystallography;
  • CIF;
  • CIF dictionaries;
  • Crystallographic Information File;
  • mmCIF;
  • macromolecular Crystallographic Information File;
  • data names;
  • data categories;
  • DDL2