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Crystallographic Information File (CIF) is a standard text file format for representing crystallographic information, promulgated by the International Union of Crystallography (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 ...
The CIF format is the standard file format for the exchange and archiving of crystallographic data. [1] It was adopted by the International Union of Crystallography , who also provides full specifications of the format. [2] It is supported by all major crystallographic databases.
The Crystallography Open Database (COD) is a database of crystal structures. [1] Unlike similar crystallographic databases , the database is entirely open-access, with registered users able to contribute published and unpublished structures of small molecules and small to medium-sized unit cell crystals to the database.
The primary file format for CSD structure deposition, adopted around 1991, is the "Crystallographic Information file" format, CIF. [16] The deposited CSD files can be downloaded in the CIF format. The validated and curated CSD files can be exported in a wide range of formats, including CIF, MOL, Mol2, PDB, SHELX and XMol, using tools in the CSD ...
Crystallography is the branch of science devoted to the study of molecular and crystalline structure and properties. [1] The word crystallography is derived from the Ancient Greek word κρύσταλλος ( krústallos ; "clear ice, rock-crystal"), and γράφειν ( gráphein ; "to write"). [ 2 ]
Mercury is a freeware developed by the Cambridge Crystallographic Data Centre, originally designed as a crystal structure visualization tool. Mercury helps three dimensional visualization of crystal structure and assists in drawing and analysis of crystal packing and intermolecular interactions. [1]
This book was the forerunner of the International tables for crystallography, which first appeared in 1935. 1923 - Roscoe Dickinson and Albert Raymond, and independently, H.J. Gonell and Hermann Mark, first showed that an organic molecule, specifically hexamethylenetetramine, could be characterized by x-ray crystallography. [68] [69]
.cif: chemical/x-cif Crystallographic Information File, Crystallographic Information Framework Promulgated by the International Union of Crystallography .cmdf: chemical/x-cmdf CrystalMaker Data format .cml: chemical/x-cml Chemical Markup Language: XML based Chemical Markup Language. .cpa: chemical/x-compass Compass program of the Takahashi .bsd