CINXE.COM
PDBx/mmCIF References
<!DOCTYPE html> <html lang="en"> <head> <!-- File: head_common_bs.html Updates: 2013-Aug-24 jdw bootstrap 3.0.0 2013-Oct-06 jdw add fonts --> <meta charset="utf-8"> <meta name="viewport" content="width=device-width, initial-scale=1.0"> <link href="/assets/css/bootstrap/css/bootstrap.css" rel="stylesheet"> <!-- local application css --> <link href="/styles/app.css" rel="stylesheet"> <link href="/styles/prettify.css" rel="stylesheet"> <!-- font definitions --> <!-- 'gothic-league' --> <link href="/assets/webfonts/LeagueGothic/stylesheet.css" rel="stylesheet"> <!-- 'titilliumlight' --> <link href="/assets/webfonts/Titillium/fonts.css" rel="stylesheet"> <!-- 'colaborate-thinregular' --> <link href="/assets/webfonts/Colaborate/colaborate_thin_macroman/stylesheet.css" rel="stylesheet"> <!-- 'droid_sansregular' --> <link href="/assets/webfonts/DroidSans/droidsans_regular_macroman/stylesheet.css" rel="stylesheet"> <!-- 'existencelight' --> <link href="/assets/webfonts/Existence/existence_light_macroman/stylesheet.css" rel="stylesheet"> <!-- 'existencestencil_light' --> <link href="/assets/webfonts/Existence/existence_stencillight_macroman/stylesheet.css" rel="stylesheet"> <!-- 'existenceunicase_light' --> <link href="/assets/webfonts/Existence/existence_unicaselight_macroman/stylesheet.css" rel="stylesheet"> <!-- 'robotothin' --> <link href="/assets/webfonts/Roboto/roboto_thin_macroman/stylesheet.css" rel="stylesheet"> <!-- 'robotolight' --> <link href="/assets/webfonts/Roboto/roboto_light_macroman/stylesheet.css" rel="stylesheet"> <!-- HTML5 shim, for IE 6-8 support of HTML5 elements --> <!--[if lt IE 9]> <script src="/assets/js/html5shiv.js"></script> <script src="/assets/js/respond.min.js"></script> <![endif]--> <!-- end of file File: head_common_bs.html --> <title>PDBx/mmCIF References</title> </head> <body> <div id="wrap"> <!-- common page navigation --> <!-- File: page_header_bs.html Update: Aug 18, 2013 J. Westbrook Update: Sep 12, 2013 J. Westbrook add form details Update: Oct 6, 2013 J. Westbrook overhaul Update: Jan 9, 2015 J. Westbrook update - Update: Jul 8, 2017 E. Peisach - make v50 default Update: Jul 14, 2017 E. Peisach - Add IHM Update: Jul 7, 2018 E. Peisach - Add ma, remove mdb --> <div class="navbar navbar-inverse navbar-fixed-top"> <div class="container"> <div class="navbar-header"> <button type="button" class="navbar-toggle" data-toggle="collapse" data-target=".nav-collapse"> <span class="icon-bar"></span> <span class="icon-bar"></span> <span class="icon-bar"></span> </button> <a class="my-navbar-brand" href="/pdbx-mmcif-home-page.html">PDBx/mmCIF</a> </div> <!-- end navbar-header --> <div class="collapse navbar-collapse"> <ul class="nav navbar-nav"> <!-- <li class="active"><a href="/index.html">Home</a></li> --> <li><a href="/pdbx-mmcif-home-page.html">Home</a></li> <!-- Dictionary pull-down --> <li class="dropdown"> <a href="#" class="dropdown-toggle" data-toggle="dropdown">Dictionaries<b class="caret"></b></a> <ul class="dropdown-menu"> <li class="divider"></li> <li class="dropdown-header">Browse the PDBx/mmCIF Dictionaries</li> <li><a href="/dictionaries/mmcif_pdbx_v50.dic/Index">Current version (V5) PDBx/mmCIF</a></li> <li><a href="/dictionaries/mmcif_pdbx_v5_next.dic/Index">Development Version PDBx/mmCIF</a></li> <li><a href="/dictionaries/mmcif_ddl.dic/Index">Dictionary Definition Language V2</a></li> <li><a href="/dictionaries/mmcif_pdbx_vrpt.dic/Index">wwPDB Validation</a></li> <li class="divider"></li> <li class="dropdown-header">Browse Other Dictionaries</li> <li><a href="/dictionaries/mmcif_ihm_ext.dic/Index">IHMCIF</a></li> <li><a href="/dictionaries/mmcif_ihm_flr_ext.dic/Index">flrCIF</a></li> <li><a href="/dictionaries/mmcif_pdbx_v40.dic/Index">Previous PDBx/mmCIF V4</a></li> <li><a href="/dictionaries/mmcif_std.dic/Index">Original mmCIF</a></li> <li><a href="/dictionaries/mmcif_nmr-star.dic/Index">NMRIF/NMR-STAR</a></li> <li><a href="/dictionaries/mmcif_nef.dic/Index">NMR Exchange Format (NEF)</a></li> <li><a href="/dictionaries/mmcif_sas.dic/Index">SAS</a></li> <li><a href="/dictionaries/mmcif_ndb_ntc.dic/Index">NDB NTC</a></li> <li><a href="/dictionaries/mmcif_em.dic/Index">3DEM</a></li> <li><a href="/dictionaries/mmcif_img.dic/Index">Image mmCIF</a></li> <li><a href="/dictionaries/mmcif_sym.dic/Index">Symmetry</a></li> <li><a href="/dictionaries/mmcif_biosync.dic/Index">Biosync</a></li> <li><a href="/dictionaries/mmcif_ma.dic/Index">ModelCIF</a></li> </ul> </li> <!-- Documentation pull-down --> <li class="dropdown"> <a href="#" class="dropdown-toggle" data-toggle="dropdown">Documentation<b class="caret"></b></a> <ul class="dropdown-menu"> <li class="divider"></li> <li><a href="/docs/faqs/pdbx-mmcif-faq-general.html">PDBx/mmCIF FAQ</a></li> <li><a href="/docs/user-guide/guide.html">PDBx/mmCIF User Guide</a></li> <li class="divider"></li> <li class="dropdown-header">Format</li> <li><a href="/docs/large-pdbx-examples/index.html">Large Structures in PDBx/mmCIF</a></li> <li><a href="/docs/pdb_to_pdbx_correspondences.html">PDB to PDBx Format Correspondences</a></li> <li><a href="http://wwpdb.org/task/mmcif" target="_blank">wwPDB PDBx/mmCIF Working Group</a></li> <li class="divider"></li> <li class="dropdown-header">Software</li> <li><a href="/docs/software-resources.html">Software resources</a></li> <li><a href="/docs/sw-examples/cpp/html">C++ Examples</a></li> <li><a href="/docs/sw-examples/python/html">Python Examples</a></li> <li class="divider"></li> <li class="dropdown-header">Reference</li> <li><a href="/docs/tutorials/mechanics/pdbx-mmcif-syntax.html">File syntax</a> </li> <li> <a href="/docs/tutorials/mechanics/pdbx-mmcif-dict-struct.html">Dictionary organization</a></li> <li><a href="/docs/tutorials/content/atomic-description.html">Atomic description</a></li> <li><a href="/docs/tutorials/content/molecular-entities.html">Molecular description</li> <li><a href="/docs/pubs/pdbx-mmcif-references.html">Reference List</a></li> <li><a href="/docs/tutorials/glossary/early-history.html">Early history</a></li> <li><a href="/docs/tutorials/glossary/pdbx-mmcif-glossary.html">Glossary</a></li> </ul> </li> <li><a href="/dictionaries/downloads.html">Downloads</a></li> <li><a href="mailto:pdbx-mmcif-help@mail.wwpdb.org">Contact Us</a></li> </ul> <!-- end nav --> <a href="http://www.wwpdb.org/" class="pull-right right-icon" title="Worldwide Protein Data Bank"> <img alt="A Member of the wwPDB" src="/assets/images/wwpdb/wwpdb-logo-menubar-20.png" width="107" height="20"></a> <form class="navbar-form pull-right" id="searchSite" action="/cgi-bin/swish/swish.cgi" method="get" enctype="application/x-www-form-urlencoded"> <button type="submit" class="btn btn-wwpdb-green"> <span class="glyphicon glyphicon-search"></span></a> </button> <div class="form-group"> <input type="text" placeholder="Search current dictionary" class="form-control" size=25 name="query"> </div> <input type="hidden" name="sort" value="swishrank" /> <input type="hidden" name="si" value="0" /> </form> <!-- right-justified icon in navbar --> </div><!--/.nav-collapse --> </div> <!-- end container --> </div> <!-- end navbar --> <!-- End file page_header_bs.html --> <!-- Begin page content --> <div class="container"> <div class="row"> <h2>PDBx/mmCIF References </h2> </div> <div class="row"> <ul class="ul-lg"> <li>J. D. Westbrook, J. Y. Young, C. Shao, Z. Feng, V. Guranovic, C. L. Lawson, B. Vallat, P. D. Adams, J. M. Berrisford, G. Bricogne, K. Diederichs, R. P. Joosten, P. Keller, N. W. Moriarty, O. V. Sobolev, S. Velankar, C. Vonrhein, D. G. Waterman, G. Kurisu, H. M. Berman, S. K. Burley, E. Peisach. <a href="https://www.sciencedirect.com/science/article/pii/S0022283622001796?via%3Dihub" target="_blank"> PDBx/mmCIF Ecosystem: Foundational Semantic Tools for Structural Biology</a>, <i>Journal of Molecular Biology</i> (2022) 434(11):167599</li> <li> Chapter 10 The PDB format, mmCIF formats, and other data formats. In Structural Bioinformatics, J. D. Westbrook, P. M. D. Fitzgerald. (2009). Second Edition (P. E. Bourne & J. Gu, eds.), pp. 271-291. John Wiley & Sons, Inc., Hoboken, New Jersey.</li> <li><a href="/docs/pubs/AUTHOR_ch3o6.pdf" target="_blank"> Chapter 3.6. Classification and use of macromolecular data.</a> (PDF) in <i>International Tables for Crystallography G.</i> Definition and exchange of crystallographic data, S.R. Hall and B. McMahon, Editors. 2005, Springer: Dordrecht, The Netherlands. p. 144-198. </li> <li><a href="/docs/pubs/appendix3.6.3_pdbx.pdf" target="_blank"> Chapter 3.6.2 The Protein Data Bank exchange dictionary (PDF) </a> Westbrook J, Henrick K, Ulrich EL, Berman HM. (2005). in <i>International Tables for Crystallography G.</i> Definition and exchange of crystallographic data, S.R. Hall and B. McMahon, Editors, Springer: Dordrecht, The Netherlands. p. 195-198.</li> <li> <a href="/docs/pubs/AUTHOR_ch4o5.pdf">Chapter 4.5. The Macromolecular dictionary (mmCIF)</a> Fitzgerald PMD, Westbrook JD, Bourne PE, McMahon B, Watenpaugh KD, Berman HM. (2005). in <i>International Tables for Crystallography</i>, G. Definition and exchange of crystallographic data, S.R. Hall and B. McMahon, Editors. Springer: Dordrecht, The Netherlands. pp. 295-443. </li> <li> Chapter 2.6 Specification of a relational Dictionary Definition Language (DDL2). J. D. Westbrook, H. M. Berman, S. R. Hall. (2005). in <i>International Tables for Crystallography</i> (S. R. Hall & B. McMahon, eds.), Vol. G. Definition and exchange of crystallographic data, pp. 61-72. Springer, Dordrecht, The Netherlands.</li> <li> Chapter 5.5 The use of mmCIF architecture for PDB data management. Westbrook J, Yang H, Feng Z, Berman HM. (2005). in <i> International Tables for Crystallography</i> (S. R. Hall & B. McMahon, eds.), Vol. G. Definition and exchange of crystallographic data, pp. 539-543. Springer, Dordrecht, The Netherlands. </i> <li> PDBML: the representation of archival macromolecular structure data in XML. John Westbrook, Nobutoshi Ito, Haruki Nakamura, Kim Henrick and Helen M. Berman, <a href="http://bioinformatics.oupjournals.org/cgi/content/abstract/bti082" target="_blank"> Bioinformatics, 21(7), 988-992, 2005.</a> </li> <li> STAR/mmCIF: An Extensive Ontology for Macromolecular Structure and Beyond (PDF) <a href="/docs/pubs/bioinfo00.pdf"> Westbrook J, Bourne PE. <i>Bioinformatics</i> (2000) 16(2), 159-168.</a></li> <li> J. D. Westbrook, S.-H. Hsieh, P. M. D. Fitzgerald. CIF Applications. VI. <I>CIFLIB</I>: an application-program interface to CIF dictionaries and data files. <I>J. Appl. Cryst.</I> (1997) <B>30</B>, 79-83.</li> <li> The Macromolecular Crystallographic Information File (mmCIF) <a href="/docs/pubs/methods-enzymology-paper-1997.html"><i>Meth. Enzymol.</i> (1997) 277, 571-590. </a></li> <li> How the Nucleic Acid Database Uses CIF. H. M. Berman and J. D. Westbrook, in <i>Proceedings of the First Macromolecular CIF Tools Workshop</i>, P. E. Bourne, ed. (1993) National Science Foundation, Tarrytown, New York, p. 65.</li> <li>The STAR File: a New Format for Electronic Data Transfer and Archiving, S. R. Hall, <i>J. Chem. Inf. Comp. Sci.</i> (1991) <b>31</b>, 326-333.</li> <li> The Crystallographic Information file (CIF): a New Standard Archive File for Crystallography, S. R. Hall, A. H. Allen, and I. D. Brown, <i>Acta Cryst.</i> (1991) <b>A47</b>, 655-685.</li> </ul> </div> </div> <!-- end main page container --> </div> <!-- end wrap --> <!-- File: page_javascript_bs.html Update: Oct 6, 2013 jdw --> <script src="/assets/js/jquery/core/jquery-1.11.0.min.js" ></script> <script src="/assets/css/bootstrap/js/bootstrap.js" > </script> <!-- local application js --> <script src="/js/MyApp.js"></script> <!-- end of file page_javascript_bs.html --> <!-- File: page_footer_bs.html Update: Oct 6, 2013 J. Westbrook --> <div id="footer"> <div class="container"> <p class="muted credit">© wwPDB </p> </div> </div> <!-- end file page_footer_bs.html --> </body> </html>