The Macromolecular Crystallographic Information File (mmCIF) also known as PDBx/mmCIF is a standard text file format for representing macromolecular structure data, developed by the International Union of Crystallography (IUCr) and the Protein Data Bank[1] It is an extension of the Crystallographic Information File (CIF), specifically for macromolecular data, such as proteins and nucleic acids, incorporating elements from the PDB file format.
mmCIF was designed to address limitations of the PDB format in terms of capacity and flexibility, especially with the increasing size and complexity of macromolecular structures being determined.
The format is part of the larger Crystallographic Information Framework, a system of exchange protocols based on data dictionaries and relational rules expressible in different machine-readable manifestations, including, but not restricted to, the original Crystallographic Information File and XML.
Exampleedit
An example of the mmCIF file format is key-value style is:[2]
^Bourne, PE; Berman, HM; McMahon, B; Watenpaugh, KD; Westbrook, JD; Fitzgerald, PM (1997). Macromolecular Crystallographic Information File. Methods in Enzymology. Vol. 277. pp. 571–90. doi:10.1016/s0076-6879(97)77032-0. PMID 18488325.
^ abAdams, PD; Afonine, PV; Baskaran, K; Berman, HM; Berrisford, J; Bricogne, G; Brown, DG; Burley, SK; Chen, M; Feng, Z; Flensburg, C; Gutmanas, A; Hoch, JC; Ikegawa, Y; Kengaku, Y; Krissinel, E; Kurisu, G; Liang, Y; Liebschner, D; Mak, L; Markley, JL; Moriarty, NW; Murshudov, GN; Noble, M; Peisach, E; Persikova, I; Poon, BK; Sobolev, OV; Ulrich, EL; Velankar, S; Vonrhein, C; Westbrook, J; Wojdyr, M; Yokochi, M; Young, JY (1 April 2019). "Announcing mandatory submission of PDBx/mmCIF format files for crystallographic depositions to the Protein Data Bank (PDB)". Acta Crystallographica Section D. 75 (Pt 4): 451–454. doi:10.1107/S2059798319004522. PMC6465986. PMID 30988261.
January 01, 1970
macromolecular, crystallographic, information, file, mmcif, also, known, pdbx, mmcif, standard, text, file, format, representing, macromolecular, structure, data, developed, international, union, crystallography, iucr, protein, data, bank, extension, crystallo. The Macromolecular Crystallographic Information File mmCIF also known as PDBx mmCIF is a standard text file format for representing macromolecular structure data developed by the International Union of Crystallography IUCr and the Protein Data Bank 1 It is an extension of the Crystallographic Information File CIF specifically for macromolecular data such as proteins and nucleic acids incorporating elements from the PDB file format Macromolecular Crystallographic Information FileFilename extension mmcifInternet media typechemical x mmcifDeveloped byInternational Union of Crystallography IUCr Protein Data BankLatest release5 37212 June 2023Type of formatchemical file formatExtended fromCrystallographic Information FileWebsitemmcif wbr wwpdb wbr org mmCIF is intended as an alternative to the Protein Data Bank PDB format and is now the default format used by the Protein Data Bank 2 mmCIF was designed to address limitations of the PDB format in terms of capacity and flexibility especially with the increasing size and complexity of macromolecular structures being determined The format is part of the larger Crystallographic Information Framework a system of exchange protocols based on data dictionaries and relational rules expressible in different machine readable manifestations including but not restricted to the original Crystallographic Information File and XML Example editAn example of the mmCIF file format is key value style is 2 cell entry id 4HHB cell length a 63 150 cell length b 83 590 cell length c 53 800 cell angle alpha 90 00 cell angle beta 99 34 cell angle gamma 90 00 cell Z PDB 4External links editInternational Union of Crystallography wwPDB mmCIF Resources PDBx mmCIF conversion serviceReferences edit Bourne PE Berman HM McMahon B Watenpaugh KD Westbrook JD Fitzgerald PM 1997 Macromolecular Crystallographic Information File Methods in Enzymology Vol 277 pp 571 90 doi 10 1016 s0076 6879 97 77032 0 PMID 18488325 a b Adams PD Afonine PV Baskaran K Berman HM Berrisford J Bricogne G Brown DG Burley SK Chen M Feng Z Flensburg C Gutmanas A Hoch JC Ikegawa Y Kengaku Y Krissinel E Kurisu G Liang Y Liebschner D Mak L Markley JL Moriarty NW Murshudov GN Noble M Peisach E Persikova I Poon BK Sobolev OV Ulrich EL Velankar S Vonrhein C Westbrook J Wojdyr M Yokochi M Young JY 1 April 2019 Announcing mandatory submission of PDBx mmCIF format files for crystallographic depositions to the Protein Data Bank PDB Acta Crystallographica Section D 75 Pt 4 451 454 doi 10 1107 S2059798319004522 PMC 6465986 PMID 30988261 Retrieved from https en wikipedia org w index php title Macromolecular Crystallographic Information File amp oldid 1173354271, wikipedia, wiki, book, books, library,
