CIF documentation

Reference

The standard reference describing the Crystallographic Information Framework.

• International Tables for Crystallography Volume G: Definition and exchange of crystallographic data (2005), edited by Sydney Hall & Brian McMahon. Dordrecht: Springer.

Specifications

• Current working specification
• The original paper describing the CIF standard: Hall, S. R., Allen, F. H. and Brown, I. D. (1991). "The Crystallographic Information File (CIF): A New Standard Archive File for Crystallography", Acta Cryst., A47, 655-685 See also HTML version (http://www.iucr.org/iucr-top/cif/standard/cifstd1.html)

Software

CIF applications papers in Journal of Applied Crystallography

• S. R. Hall & R. Sievers (1993). CIF applications. I. QUASAR: for extracting data from a CIF. J. Appl. Cryst. 26, 469-473.
• S. R. Hall (1993). CIF applications. II. CIFIO: for CIF input/output in the Xtal system. J. Appl. Cryst. 26, 474-479.
• S. R. Hall (1993). CIF applications. III. CYCLOPS: for validating CIF data names. J. Appl. Cryst. 26, 480-481.
• S. R. Hall (1993). CIF applications. IV. CIFtbx: a tool box for manipulating CIFs. J. Appl. Cryst. 26, 482-494.
• S. R. Hall & H. J. Bernstein (1996). CIF Applications. V. CIFtbx2: extended tool box for manipulating CIFs. J. Appl. Cryst. 29, 598-603.
• J. D. Westbrook, S.-H. Hsieh & P. M. D. Fitzgerald (1997). CIF Applications. VI. CIFLIB: an application program interface to CIF dictionaries and data files. J. Appl. Cryst. 30, 79-83.
• H. J. Bernstein & S. R. Hall (1998). CIF Applications. VII. CYCLOPS2: extending the validation of CIF data names. J. Appl. Cryst. 31, 278-281.
• H. J. Bernstein, F. C. Bernstein & P. E. Bourne (1998). CIF Applications. VIII. pdb2cif: translating PDB entries into mmCIF format. J. Appl. Cryst. 31, 282-295.
• W. Chang & P. E. Bourne (1998). CIF Applications. IX. A new approach for representing and manipulating STAR files. J. Appl. Cryst. 31, 505-509.
• J. R. Hester & F. P. Okamura (1998). CIF Applications. X. Automatic Construction of CIF Input Functions: CifSieve. J. Appl. Cryst. 31, 965-968.
• L. Clowney, J. D. Westbrook &H. M. Berman (1999). CIF Applications. XI. A La Mode: a ligand and monomer object data environment. I. Automated construction of mmCIF monomer and ligand models. J. Appl. Cryst. 32, 125-133.
• B. H. Toby (2003). CIF applications. XII. Inspecting Rietveld fits from pdCIF: pdCIFplot. J. Appl. Cryst. 36, 1285-1287.
• B. H. Toby (2003). CIF applications. XIII. CIFEDIT, a program for viewing and editing CIFs. J. Appl. Cryst. 36, 1288-1289.
• B. H. Toby, R. B. Von Dreele & A. C. Larson (2003). CIF applications. XIV. Reporting of Rietveld results using pdCIF: GSAS2CIF. J. Appl. Cryst. 36, 1290-1294.
• F. H. Allen, O. Johnson, G. P. Shields, B. R. Smith & M. Towler (2004). CIF applications. XV. enCIFer: a program for viewing, editing and visualizing CIFs. J. Appl. Cryst. 37, 335-338.
• R. I. Cooper, B. M. Foxman & L. Yang (2004). CIF applications. XVI. CIF2CRY: for CIF input into the CRYSTALS program. J. Appl. Cryst. 37, 669-671.
• J. R. Hester (2006). A validating CIF parser: PyCIFRW. J. Appl. Cryst. 39, 621-625.
• W. Kaminsky (2007). From CIF to virtual morphology using the WinXMorph program. J. Appl. Cryst. 40, 382-385.