Additional resources

PART 1. HISTORICAL INTRODUCTION

1.1. Genesis of the Crystallographic Information File by S. R. Hall and B. McMahon

PART 2. CONCEPTS AND SPECIFICATIONS

2.1. Specification of the STAR File by S. R. Hall and N. Spadaccini

2.2. Specification of the Crystallographic Information File (CIF) by S. R. Hall and J. D. Westbrook
with Section 2.2.7 by S. R. Hall, N. Spadaccini, I. D. Brown, H. J. Bernstein and B. McMahon

2.3. Specification of the Crystallographic Binary File (CBF/imgCIF) by H. J. Bernstein and A. P. Hammersley

2.4. Specification of the Molecular Information File (MIF) by F. H. Allen, J. M. Barnard, A. P. F. Cook and S. R. Hall

2.5. Specification of the core CIF dictionary definition language (DDL1) by S. R. Hall and A. P. F. Cook

2.6. Specification of a relational dictionary definition language (DDL2) by J. D. Westbrook, H. M. Berman and S. R. Hall

PART 3. CIF DATA DEFINITION AND CLASSIFICATION

3.1. General considerations when defining a CIF data item by B. McMahon

3.2. Classification and use of core data by S. R. Hall, P. M. D. Fitzgerald and B. McMahon

3.3. Classification and use of powder diffraction data B. H. Toby

3.4. Classification and use of modulated and composite structures data by G. Madariaga

3.5. Classification and use of electron density data by P. R. Mallinson and I. D. Brown

3.6. Classification and use of macromolecular data by P. M. D. Fitzgerald, J. D. Westbrook, P. E. Bourne, B. McMahon, K. D. Watenpaugh and H. M. Berman with Appendix 3.6.2 by J. D. Westbrook, K. Henrick, E. L. Ulrich and H. M. Berman

3.7. Classification and use of image data by H. J. Bernstein

3.8. Classification and use of symmetry data by I. D. Brown

PART 4. DATA DICTIONARIES

4.1. Core dictionary (coreCIF) by S. R. Hall, F. H. Allen and I. D. Brown

4.2. Powder dictionary (pdCIF) by B. H. Toby

4.3. Modulated and composite structures dictionary (msCIF) by G. Madariaga

4.4. Electron density dictionary (rhoCIF) by P. R. Mallinson

4.5. Macromolecular dictionary (mmCIF) by P. M. D. Fitzgerald, J. D. Westbrook, P. E. Bourne, B. McMahon, K. D. Watenpaugh and H. M. Berman

4.6. Image dictionary (imgCIF) by A. P. Hammersley, H. J. Bernstein and J. D. Westbrook

4.7. Symmetry dictionary (symCIF) by I. D. Brown

4.8. Molecular Information File dictionary (MIF) by F. H. Allen, J. M. Barnard, A. P. F. Cook and S. R. Hall

4.9. DDL1 dictionary by S. R. Hall

4.10. DDL2 dictionary by J. D. Westbrook and S. R. Hall

PART 5. APPLICATIONS

5.1. General considerations in programming CIF applications by H. J. Bernstein

5.2. STAR File utilities by N. Spadaccini, S. R. Hall and B. McMahon

5.3. Syntactic utilities for CIF by B. McMahon

5.4. CIFtbx: Fortran tools for manipulating CIFs by H. J. Bernstein and S. R. Hall

5.5. The use of mmCIF architecture for PDB data management by J. D. Westbrook, H. Yang, Z. Feng and H. M. Berman

5.6. CBFlib: an ANSI C library for manipulating image data by P. J. Ellis and H. J. Bernstein

5.7. Small-molecule crystal structure publication using CIF by P. R. Strickland, M. A. Hoyland and B. McMahon