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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. 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file page_header_bs.html --> <div class="container"> <div class="my-page-header"> <h2>Dictionary Index <small>mmcif_sym.dic</small></h2> </div> <div class="row"> <div class="col-md-1 my-nav-title"><div class="pull-right"> <h4>Browse:</h4></div></div> <div class="col-md-11"> <ul class="nav nav-tabs"> <li class="active"> <a href="/dictionaries/mmcif_sym.dic/Index/index.html">Dictionary</a></li> <li > <a href="/dictionaries/mmcif_sym.dic/Groups/index.html">Category Groups</a></li> <li > <a href="/dictionaries/mmcif_sym.dic/Categories/index.html">Data Categories</a></li> <li > <a href="/dictionaries/mmcif_sym.dic/Items/index.html">Data Items</a></li> <li > <a href="/dictionaries/mmcif_sym.dic/Data/index.html">Supporting Data</a></li> </ul> </div> </div> <div class="row"> <div class="panel panel-default general"> <div class="panel-heading"> <h3 class="panel-title">General <a href="#" class="mytip pull-right" data-toggle="tooltip" data-placement="left" title="General information"> <img class="" src="/assets/images/glyphicons-dot-com/png/glyphicons_195_circle_info.png"></a></h3> </div> <div class="panel-body"> <dl class="dl-horizontal dl-lg"> <dt >Dictionary title</dt> <dd >Symmetry Dictionary</dd> <dt >Dictionary description</dt> <dd >Dictionary describing crystallographic symmetry operations</dd> <dt >Original developers</dt> <dd >I. David Brown, Editor</dd> <dt >Dictionary maintainers</dt> <dd >IUCr</dd> <dt >Dictionary name</dt> <dd >mmcif_sym.dic</dd> <dt >Dictionary version</dt> <dd >1.03</dd> <dt >Last update</dt> <dd >2011-04-06</dd> </dl> </div> </div> </div> <div class="row"> <div class="panel panel-default default"> <div class="panel-heading"> <h3 class="panel-title">Downloads <a href="#" class="mytip pull-right" data-toggle="tooltip" data-placement="left" title="Download options"> <img class="" src="/assets/images/glyphicons-dot-com/png/glyphicons_181_download_alt.png"></a></h3> </div> <div class="panel-body"> <div class="col-md-10 col-md-offset-1"> <a class="btn btn-lg btn-wwpdb-green" href="/dictionaries/ascii/mmcif_sym.dic">Dictionary Text</a> <a class="btn btn-lg btn-wwpdb-green" href="/dictionaries/ascii/mmcif_sym.dic.gz">Dictionary Text (gz)</a> </div> </div> </div> </div> <div class="row"> <div class="panel-group my-spacer" id="pg1"> <div class="panel panel-default"> <!-- begin top accordion panel --> <div class="panel-heading"> <div class="row"> <div class="col-md-8"> <h4 class="panel-title"> Dictionary Revision History </h4> </div> <div class="col-md-4"> <a class="accordion-toggle pull-right" data-toggle="collapse" data-parent="#pg1" href="#p1"> View/Hide revision history list </a> </div> </div> <!-- end heading row --> </div> <!-- end panel heading --> <div id="p1" class="panel-collapse collapse in"> <div class="panel-body"> <!-- BEGIN inserted markup --> <div class="my-table-scrollable"> <table class="table table-striped table-condensed "> <thead> <tr> <th>Version</th> <th>Revision&nbsp;Date</th> <th>Revision&nbsp;Description</th> </tr> </thead> <tbody> <tr> <td class="my-monospace">1.03</td> <td class="my-monospace">2011-04-06</td> <td class="my-monospace"> J. Westbrook - remove void example loops -</td> <td class="my-monospace">mmcif_sym.dic</td> </tr> <tr> <td class="my-monospace">1.02</td> <td class="my-monospace">2007-05-28</td> <td class="my-monospace"> J. Westbrook - correct parent-child data type consistency</td> <td class="my-monospace">mmcif_sym.dic</td> </tr> <tr> <td class="my-monospace">1.01</td> <td class="my-monospace">2004-08-08</td> <td class="my-monospace"> J. Westbrook - Add missing data types and correct case in category names.</td> <td class="my-monospace">mmcif_sym.dic</td> </tr> <tr> <td class="my-monospace">1.0</td> <td class="my-monospace">2001-12-12</td> <td class="my-monospace"> J. Westbrook - Miscellaneous fixes and corrections.</td> <td class="my-monospace">mmcif_sym.dic</td> </tr> <tr> <td class="my-monospace">0.10</td> <td class="my-monospace">2001-11-07</td> <td class="my-monospace"> IDB<br /> A number of corrections made following the approval of this dictionary <br /> in principle by COMCIFS.<br /> The underscore in all space group names has been removed and the text<br /> modified to indicate that underscores are only permitted to allow earlier<br /> space group tables to be read.<br /> _space_group.name_H-M changed to _space_group.name_H-M_ref<br /> An enumeration list added to _space_group.nameH-M_ref<br /> The 1995 H-M names for space groups 39, 41, 64, 67 and 68 introduced<br /> Aliases to _symmetry_space_group_name_H-M removed from _*.name_H-M_ref<br /> ^ replaced by . in Schoenflies names (e.g. C2h^4 replaced by C2h.4)<br /> Changes made in the text of _*.reference_setting<br /> _*.transformation_rotation_xyz and _*_origin_shift replaced by<br /> _*.transformation_Pp_abc and _*. transformation_Qq_xyz</td> <td class="my-monospace">mmcif_sym.dic</td> </tr> <tr> <td class="my-monospace">0.09</td> <td class="my-monospace">2001-05-31</td> <td class="my-monospace"> IDB<br /> The links between the space_group category and the<br /> space_group_symop and space_group_Wyckoff categories are<br /> corrected as well as the links between space_group_symop and the<br /> various geom_ categories.<br /><br /> Brian McMahon:<br /> Changed type of _space_group_symop.sg_id to numb at request of IDB.</td> <td class="my-monospace">mmcif_sym.dic</td> </tr> <tr> <td class="my-monospace">0.08</td> <td class="my-monospace">2000-07-20</td> <td class="my-monospace"> J. Westbrook<br /><br /> Miscellaneous corrections and reformatting from software scan.</td> <td class="my-monospace">mmcif_sym.dic</td> </tr> <tr> <td class="my-monospace">0.07</td> <td class="my-monospace">2000-07-18</td> <td class="my-monospace"> IDB<br /> Further clarifications and corrections from Wondratschek and<br /> Grosse-Kunstleve. Dictionary checked in vcif.<br /><br /> Brian McMahon:<br /> Structural review for COMCIFS. Some reformatting and cleaning up of<br /> minor typos. Checked against vcif and cyclops.<br /></td> <td class="my-monospace">mmcif_sym.dic</td> </tr> <tr> <td class="my-monospace">0.06</td> <td class="my-monospace">2000-05-04</td> <td class="my-monospace"> IDB<br /> Further clarification of definitions as suggested by Aroyo,<br /> Wondratschek, Madariaga and Grosse-Kunstleve, particularly<br /> clarification of the Hermann-Mauguin symbols and Bravais types and<br /> changes to conform to the usage of ITA.</td> <td class="my-monospace">mmcif_sym.dic</td> </tr> <tr> <td class="my-monospace">0.05</td> <td class="my-monospace">2000-01-12</td> <td class="my-monospace"> IDB<br /> Further clarifications to definitions as suggested by Aroyo,<br /> Wondratschek, Madariaga, Litvin and Grosse-Kunstleve.<br /> Removal of all matrix forms of matrices (leaving xyz form) in the hope<br /> that a new DDL will make matrix representation simpler.<br /> Removal of *_Wyckoff_cond and *_Wyckoff_cond_link categories until a<br /> new DDL simplifies their structure.<br /> Added _space_group.transform_* items</td> <td class="my-monospace">mmcif_sym.dic</td> </tr> <tr> <td class="my-monospace">0.04</td> <td class="my-monospace">1999-11-01</td> <td class="my-monospace"> IDB<br /> List of reference settings imported from Ralf Grosse-Kunstleve<br /> supplied 1999-10-29 by RWGK based on http://xtal.crystal.uwa.edu.au/<br /> (Select &apos;Docs&apos;, Select &apos;space Group Symbols&apos;) Symmetry table of Ralf<br /> W. Grosse-Kunstleve, ETH, Zuerich.<br /> version June 1995<br /> updated September 29 1995<br /> updated July 9 1997<br /> last updated July 24 1998<br /> Matrices expanded into separate items for each element.<br /> References added for *_wyckoff.site_symmetry and<br /> *.IT_coordinate_system_code.<br /> *_asym category deleted.<br /> Numerous typographical errors corrected</td> <td class="my-monospace">mmcif_sym.dic</td> </tr> <tr> <td class="my-monospace">0.03</td> <td class="my-monospace">1999-09-01</td> <td class="my-monospace"> IDB<br /> Definitions of _space_group.IT_number, *.name_schoenflies<br /> *.Bravais_type, *point_group_H-M, *.crystal_system and *.Laue_class<br /> changed to those supplied by Litvin and Kopsky.<br /> *.setting_code changed to *.it_coordinate_system_code.<br /> *.name_H-M-K dropped.<br /> *.Patterson_symmetry_H-M changed to *.Patterson_name_H-M and<br /> enumeration list corrected.<br /> *.reference_setting added<br /> In category space_group_symop &apos;operator&apos; changed to &apos;operation&apos;.<br /> _space_group_symop.operation_matrix changed to conform to IT.<br /> _space_group_symop.generator_* added.<br /> _space_group.reference_setting added.<br /> _space_group_Wyckoff.* and related categories rewritten to avoid<br /> conflicting parent-child relations. Removal of *_coord.* and addition<br /> of *_cond_link.*</td> <td class="my-monospace">mmcif_sym.dic</td> </tr> <tr> <td class="my-monospace">0.02</td> <td class="my-monospace">1999-02-15</td> <td class="my-monospace"> (IDB)<br /> Changes made in response to suggestions from the project group. New<br /> categories introduced<br /> SPACE_GROUP_SYMOP<br /> SPACE_GROUP_ASYM.<br /> The following category name changes were made:<br /> SPACE_GROUP_POS to SPACE_GROUP_WYCKOFF<br /> SPACE_GROUP_REFLNS to SPACE_GROUP_WYCKOFF_CONDITIONS<br /> SPACE_GROUP_COORD to SPACE_GROUP_WYCKOFF_COORD<br /> The items are arranged in alphabetical order<br /> Many other changes made in response to comments received<br /> including new data names for space group names</td> <td class="my-monospace">mmcif_sym.dic</td> </tr> <tr> <td class="my-monospace">0.01</td> <td class="my-monospace">1998-11-27</td> <td class="my-monospace"> (I.D.Brown)<br /> Creation of first draft of the dictionary.<br /> Contains the categories SPACE_GROUP, SPACE_GROUP_POS,<br /> SPACE_GROUP_REFLNS and SPACE_GROUP_COORD</td> <td class="my-monospace">mmcif_sym.dic</td> </tr> <tr> <td class="my-monospace">1.03</td> <td class="my-monospace">2011-04-06</td> <td class="my-monospace"> J. Westbrook - remove void example loops -</td> <td class="my-monospace">mmcif_sym.dic</td> </tr> <tr> <td class="my-monospace">1.02</td> <td class="my-monospace">2007-05-28</td> <td class="my-monospace"> J. Westbrook - correct parent-child data type consistency</td> <td class="my-monospace">mmcif_sym.dic</td> </tr> <tr> <td class="my-monospace">1.01</td> <td class="my-monospace">2004-08-08</td> <td class="my-monospace"> J. Westbrook - Add missing data types and correct case in category names.</td> <td class="my-monospace">mmcif_sym.dic</td> </tr> <tr> <td class="my-monospace">1.0</td> <td class="my-monospace">2001-12-12</td> <td class="my-monospace"> J. Westbrook - Miscellaneous fixes and corrections.</td> <td class="my-monospace">mmcif_sym.dic</td> </tr> <tr> <td class="my-monospace">0.10</td> <td class="my-monospace">2001-11-07</td> <td class="my-monospace"> IDB<br /> A number of corrections made following the approval of this dictionary <br /> in principle by COMCIFS.<br /> The underscore in all space group names has been removed and the text<br /> modified to indicate that underscores are only permitted to allow earlier<br /> space group tables to be read.<br /> _space_group.name_H-M changed to _space_group.name_H-M_ref<br /> An enumeration list added to _space_group.nameH-M_ref<br /> The 1995 H-M names for space groups 39, 41, 64, 67 and 68 introduced<br /> Aliases to _symmetry_space_group_name_H-M removed from _*.name_H-M_ref<br /> ^ replaced by . in Schoenflies names (e.g. C2h^4 replaced by C2h.4)<br /> Changes made in the text of _*.reference_setting<br /> _*.transformation_rotation_xyz and _*_origin_shift replaced by<br /> _*.transformation_Pp_abc and _*. transformation_Qq_xyz</td> <td class="my-monospace">mmcif_sym.dic</td> </tr> <tr> <td class="my-monospace">0.09</td> <td class="my-monospace">2001-05-31</td> <td class="my-monospace"> IDB<br /> The links between the space_group category and the<br /> space_group_symop and space_group_Wyckoff categories are<br /> corrected as well as the links between space_group_symop and the<br /> various geom_ categories.<br /><br /> Brian McMahon:<br /> Changed type of _space_group_symop.sg_id to numb at request of IDB.</td> <td class="my-monospace">mmcif_sym.dic</td> </tr> <tr> <td class="my-monospace">0.08</td> <td class="my-monospace">2000-07-20</td> <td class="my-monospace"> J. Westbrook<br /><br /> Miscellaneous corrections and reformatting from software scan.</td> <td class="my-monospace">mmcif_sym.dic</td> </tr> <tr> <td class="my-monospace">0.07</td> <td class="my-monospace">2000-07-18</td> <td class="my-monospace"> IDB<br /> Further clarifications and corrections from Wondratschek and<br /> Grosse-Kunstleve. Dictionary checked in vcif.<br /><br /> Brian McMahon:<br /> Structural review for COMCIFS. Some reformatting and cleaning up of<br /> minor typos. Checked against vcif and cyclops.<br /></td> <td class="my-monospace">mmcif_sym.dic</td> </tr> <tr> <td class="my-monospace">0.06</td> <td class="my-monospace">2000-05-04</td> <td class="my-monospace"> IDB<br /> Further clarification of definitions as suggested by Aroyo,<br /> Wondratschek, Madariaga and Grosse-Kunstleve, particularly<br /> clarification of the Hermann-Mauguin symbols and Bravais types and<br /> changes to conform to the usage of ITA.</td> <td class="my-monospace">mmcif_sym.dic</td> </tr> <tr> <td class="my-monospace">0.05</td> <td class="my-monospace">2000-01-12</td> <td class="my-monospace"> IDB<br /> Further clarifications to definitions as suggested by Aroyo,<br /> Wondratschek, Madariaga, Litvin and Grosse-Kunstleve.<br /> Removal of all matrix forms of matrices (leaving xyz form) in the hope<br /> that a new DDL will make matrix representation simpler.<br /> Removal of *_Wyckoff_cond and *_Wyckoff_cond_link categories until a<br /> new DDL simplifies their structure.<br /> Added _space_group.transform_* items</td> <td class="my-monospace">mmcif_sym.dic</td> </tr> <tr> <td class="my-monospace">0.04</td> <td class="my-monospace">1999-11-01</td> <td class="my-monospace"> IDB<br /> List of reference settings imported from Ralf Grosse-Kunstleve<br /> supplied 1999-10-29 by RWGK based on http://xtal.crystal.uwa.edu.au/<br /> (Select &apos;Docs&apos;, Select &apos;space Group Symbols&apos;) Symmetry table of Ralf<br /> W. Grosse-Kunstleve, ETH, Zuerich.<br /> version June 1995<br /> updated September 29 1995<br /> updated July 9 1997<br /> last updated July 24 1998<br /> Matrices expanded into separate items for each element.<br /> References added for *_wyckoff.site_symmetry and<br /> *.IT_coordinate_system_code.<br /> *_asym category deleted.<br /> Numerous typographical errors corrected</td> <td class="my-monospace">mmcif_sym.dic</td> </tr> <tr> <td class="my-monospace">0.03</td> <td class="my-monospace">1999-09-01</td> <td class="my-monospace"> IDB<br /> Definitions of _space_group.IT_number, *.name_schoenflies<br /> *.Bravais_type, *point_group_H-M, *.crystal_system and *.Laue_class<br /> changed to those supplied by Litvin and Kopsky.<br /> *.setting_code changed to *.it_coordinate_system_code.<br /> *.name_H-M-K dropped.<br /> *.Patterson_symmetry_H-M changed to *.Patterson_name_H-M and<br /> enumeration list corrected.<br /> *.reference_setting added<br /> In category space_group_symop &apos;operator&apos; changed to &apos;operation&apos;.<br /> _space_group_symop.operation_matrix changed to conform to IT.<br /> _space_group_symop.generator_* added.<br /> _space_group.reference_setting added.<br /> _space_group_Wyckoff.* and related categories rewritten to avoid<br /> conflicting parent-child relations. Removal of *_coord.* and addition<br /> of *_cond_link.*</td> <td class="my-monospace">mmcif_sym.dic</td> </tr> <tr> <td class="my-monospace">0.02</td> <td class="my-monospace">1999-02-15</td> <td class="my-monospace"> (IDB)<br /> Changes made in response to suggestions from the project group. New<br /> categories introduced<br /> SPACE_GROUP_SYMOP<br /> SPACE_GROUP_ASYM.<br /> The following category name changes were made:<br /> SPACE_GROUP_POS to SPACE_GROUP_WYCKOFF<br /> SPACE_GROUP_REFLNS to SPACE_GROUP_WYCKOFF_CONDITIONS<br /> SPACE_GROUP_COORD to SPACE_GROUP_WYCKOFF_COORD<br /> The items are arranged in alphabetical order<br /> Many other changes made in response to comments received<br /> including new data names for space group names</td> <td class="my-monospace">mmcif_sym.dic</td> </tr> <tr> <td class="my-monospace">0.01</td> <td class="my-monospace">1998-11-27</td> <td class="my-monospace"> (I.D.Brown)<br /> Creation of first draft of the dictionary.<br /> Contains the categories SPACE_GROUP, SPACE_GROUP_POS,<br /> SPACE_GROUP_REFLNS and SPACE_GROUP_COORD</td> <td class="my-monospace">mmcif_sym.dic</td> </tr> </tbody> </table> </div> <!-- END inserted markup --> </div> <!-- end panel body--> </div> <!-- end panel-collapse --> </div> <!-- end top accordion panel panel-default --> </div> <!-- end accordion panel group --> </div> </div> <!-- end top container--> </div> <!-- end wrap --> <!-- END TEXT HERE --> <!-- 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. 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