Crystallographic Information File (CIF) is a standard text file format for representing crystallographic information, promulgated by the

International Union of Crystallography The International Union of Crystallography (IUCr) is an organisation devoted to the international promotion and coordination of the science of crystallography. The IUCr is a member of the International Council for Science (ICSU). Objectives T ...

(IUCr). CIF was developed by the IUCr Working Party 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 and has since been revised, most recently versions 1.1 and 2.0. Full specifications for the format are available at the IUCr website. Many computer programs for molecular viewing are compatible with this format, including

Jmol Jmol is computer software for molecular modelling of chemical structures in 3 dimensions. It is an open-source Java viewer for chemical structures in 3D. The name originated from ''Jva (the programming language) + olcules, and also the m ...

mmCIF

Closely related is mmCIF, macromolecular CIF, which is intended as an successor to the Protein Data Bank (PDB) format. It is now the default format used by the

Protein Data Bank The Protein Data Bank (PDB) is a database for the three-dimensional structural data of large biological molecules such as proteins and nucleic acids, which is overseen by the Worldwide Protein Data Bank (wwPDB). This structural data is obtained a ...

.— 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 Extensible Markup Language (XML) is a markup language and file format for storing, transmitting, and reconstructing data. It defines a set of rules for encoding electronic document, documents in a format that is both human-readable and Machine-r ...

References

External links

International Union of Crystallography
{{Crystallography Chemical file formats Computer file formats Crystallography