Crystallographic Information File (CIF) ist ein standardisiertes Dateiformat zur Darstellung von kristallographischen Informationen. Es wird durch die International Union of Crystallography (IUCr) verbreitet. CIF wurde von einer IUCr Arbeitsgruppe on Crystallographic Information in an effort sponsored by the IUCr Commission on Crystallographic Data and the IUCr Commission on Journals. The file format was initially published by Hall, Allen, and Brown[1] and has since been revised, most recently version 1.1.[2] Full specifications for the format are available at the IUCr website. Many computer programs for molecular viewing are compatible with this format, including Jmol.
Closely related is mmCIF, macromolecular CIF, which is intended as an alternative to the Protein Data Bank (PDB) format. Also closely related is Crystallographic Information Framework, a broader system of exchange protocols based on data dictionaries and relational rules expressible in different machine-readable manifestations, including, but not restricted to, Crystallographic Information File and XML.
References
Bearbeiten- ↑ Hall SR, Allen FH, Brown ID: The Crystallographic Information File (CIF): a new standard archive file for crystallography. In: Acta Cryst. A47. Jahrgang, 1991, S. 655–685.
- ↑ Brown ID, McMahon B: CIF: the computer language of crystallography. In: Acta Crystallogr B. 58. Jahrgang, Pt 3 Pt 1, 2002, S. 317–24, PMID 12037350.
External links
Bearbeiten