International Tables for Crystallography (2026). Vol. G. Early view chapter
https://doi.org/10.1107/97809553602060001024

Chapter 5.1. General considerations in programming CIF applications

Contents

  • 5.1. General considerations in programming CIF applications  (pp. 1-10) | html | pdf | chapter contents |
    Herbert J. Bernstein, John C. Bollinger and Antanas Vaitkus
    • 5.1.1. Introduction  (pp. 1-2) | html | pdf |
    • 5.1.2. Flavours of CIF  (p. 2) | html | pdf |
      • 5.1.2.1. Syntax (CIF 1 versus CIF 2)  (pp. 2-4) | html | pdf |
        • 5.1.2.1.1. Converting CIF 1.1 to CIF 2.0  (p. 3) | html | pdf |
        • 5.1.2.1.2. Converting CIF 2.0 to CIF 1.1  (pp. 3-4) | html | pdf |
    • 5.1.3. Dictionary usage  (pp. 4-5) | html | pdf |
      • 5.1.3.1. Managing dictionary updates  (pp. 4-5) | html | pdf |
      • 5.1.3.2. Evaluation of methods  (p. 5) | html | pdf |
      • 5.1.3.3. Locating the relevant CIF dictionaries  (p. 5) | html | pdf |
    • 5.1.4. Strategies and considerations in designing a CIF-aware application  (pp. 5-9) | html | pdf |
      • 5.1.4.1. Working with filter utilities  (p. 6) | html | pdf |
      • 5.1.4.2. Using existing CIF libraries and APIs  (pp. 6-7) | html | pdf |
      • 5.1.4.3. Creating a CIF-aware application from scratch  (pp. 7-9) | html | pdf |
        • 5.1.4.3.1. Useful libraries and APIs for application writing  (p. 8) | html | pdf |
        • 5.1.4.3.2. Character encoding  (p. 8) | html | pdf |
        • 5.1.4.3.3. Handling alternative data names  (pp. 8-9) | html | pdf |
        • 5.1.4.3.4. Handling deprecated data items  (p. 9) | html | pdf |
        • 5.1.4.3.5. Writing CIF output  (p. 9) | html | pdf |
        • 5.1.4.3.6. Multi-block CIF files  (p. 9) | html | pdf |
        • 5.1.4.3.7. Recording data provenance and dictionary conformance  (p. 9) | html | pdf |
    • 5.1.5. Concluding remarks  (p. 9) | html | pdf |
    • References | html | pdf |
    • Figures
      • Fig. 5.1.4.1. Example of using filters to make a PDB-aware application CIF-aware  (p. 6) | html | pdf |
      • Fig. 5.1.4.2. Using QUASAR or cif2cif to reorder CIF data for an order-dependent application or filter  (p. 6) | html | pdf |
      • Fig. 5.1.4.3. Typical data flow of a generic CIF-aware API  (p. 7) | html | pdf |