(IUCr) 7-nov2006

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</li> <li> <a href="https://www.iucr.org/outreach/openlabs/bruker-openlab-tunisia">Bruker OpenLab Tunisia</a> </li> <li> <a href="https://www.iucr.org/outreach/openlabs/bruker-openlab-algeria">Bruker OpenLab Algeria</a> </li> <li> <a href="https://www.iucr.org/outreach/openlabs/panalytical-openlab-turkey">PANalytical OpenLab Turkey</a> </li> <li> <a href="https://www.iucr.org/outreach/openlabs/bruker-openlab-vietnam">Bruker OpenLab Vietnam</a> </li> <li> <a href="https://www.iucr.org/outreach/openlabs/agilent-openlab-hong-kong">Agilent OpenLab Hong Kong</a> </li> <li> <a href="https://www.iucr.org/outreach/openlabs/panalytical-openlab-mexico">PANalytical OpenLab Mexico</a> </li> <li> <a href="https://www.iucr.org/outreach/openlabs/rigaku-openlab-colombia">Rigaku OpenLab Colombia</a> </li> <li> <a href="https://www.iucr.org/outreach/openlabs/grenoble-darmstadt">grenoble-darmstadt</a> </li> <li> <a href="https://www.iucr.org/outreach/openlabs/agilent-openlab-turkey">Agilent OpenLab Turkey</a> </li> <li> <a href="https://www.iucr.org/outreach/openlabs/bruker-openlab-indonesia">Bruker OpenLab Indonesia</a> </li> <li> <a href="https://www.iucr.org/outreach/openlabs/bruker-openlab-uruguay">Bruker OpenLab Uruguay</a> </li> <li> <a href="https://www.iucr.org/outreach/openlabs/rigaku-openlab-cambodia">Rigaku OpenLab Cambodia</a> </li> <li> <a href="https://www.iucr.org/outreach/openlabs/panalytical-openlab-ghana">PANalytical OpenLab Ghana</a> </li> <li> <a href="https://www.iucr.org/outreach/openlabs/bruker-openlab-morocco">Bruker OpenLab Morocco</a> </li> <li> <a href="https://www.iucr.org/outreach/openlabs/agilent-openlab-argentina">Agilent OpenLab Argentina</a> </li> <li> <a href="https://www.iucr.org/outreach/openlabs/bruker-openlab-pakistan">Bruker OpenLab Pakistan</a> </li> </ul> </li> <li> <a class="drop" href="https://www.iucr.org/outreach/crystal-growing-competition">crystal growing competition</a> <ul> <li> <a href="https://www.iucr.org/outreach/crystal-growing-competition/submit-entry">submit entry</a> </li> </ul> </li> <li> <a class="drop" href="https://www.iucr.org/outreach/africa">initiative in africa</a> </li> <li> <a class="drop" href="https://www.iucr.org/outreach/laamp">LAAAMP</a> </li> <li> <a class="drop" href="https://www.iucr.org/outreach/icsu2015">IUCr-ICSU 2015</a> </li> <li> <a class="drop" href="https://www.iucr.org/outreach/fund">outreach and education fund</a> </li> <li> <a class="drop" href="https://www.iucr.org/outreach/iycr">iycr2014</a> </li> </ul> </li> </ul> </nav>  </header> </div>     <style> header#minisite { height:5em; } /* to allow for minisite menu on two levels */ #mainav2 li {margin:0 15px 6px 0;} /* to allow for minisite menu on two levels */ </style> <div class="wrapper bgded overlay" style="background-image:url('/cgi-bin/getiucrphoto.php?ms=journals&no=53');"><div id="pagetitle" class="hoc clear"><div id="logo" class="fl_left"><a href="https://www.iucr.org/resources/commissions/computing"><img src="https://www.iucr.org/__data/assets/image/0008/149381/cc_textlogo.png" alt="[Commission logo]" title="[Commission Home Page]" style="width:66px;margin-top:-28px;margin-right: 24px;margin-bottom:6px;" /></a></div><a href="https://www.iucr.org/resources/commissions/computing" title="[Commission Home Page]"><h2>Commission on Crystallographic Computing</h2></a></div></div>          <div id="breadcrumb"> <a href="https://www.iucr.org">iucr</a>  >  <a href="https://www.iucr.org/resources">resources</a>  >  <a href="https://www.iucr.org/resources/commissions">commissions</a>  >  <a href="https://www.iucr.org/resources/commissions/computing">crystallographic computing</a>  >  <a href="https://www.iucr.org/resources/commissions/computing/newsletters">newsletters</a>  >  <a href="https://www.iucr.org/resources/commissions/computing/newsletters/7">7</a> </div>     <div class="wrapper row3"> <header id="minisite" class="hoc"> <nav id="mainav2" class="fl_right"> <ul class="clear"> <li><a class="drop" href="https://www.iucr.org/resources/commissions/computing/whats-new">what's new</a> <ul> <li> <a class="drop" href="https://www.iucr.org/__data/assets/file/0020/27038/gx_source.zip">GX suite source code file (zipped)</a> </li> </ul> </li> <li><a class="drop" href="https://www.iucr.org/resources/commissions/computing/mandate-and-history">mandate and history</a> </li> <li><a class="drop" href="https://www.iucr.org/resources/commissions/computing/members">members</a> </li> <li><a class="current" href="https://www.iucr.org/resources/commissions/computing/newsletters">newsletters</a> <ul> <li> <a class="drop" href="https://www.iucr.org/resources/commissions/computing/newsletters/1">1</a> <ul> <li> <a href="https://www.iucr.org/resources/commissions/computing/newsletters/1/chairmans-message">chairman's message</a> </li> <li> <a 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href="https://www.iucr.org/__data/assets/pdf_file/0015/6405/least_squares_ibm1620.pdf">least squares</a> </li> <li> <a href="https://www.iucr.org/__data/assets/pdf_file/0016/6406/fourier_summation_ibm1620.pdf">fourier summation</a> </li> <li> <a href="https://www.iucr.org/__data/assets/pdf_file/0017/6407/fourier_synthesis_ibm1620.pdf">fourier synthesis</a> </li> </ul> </li> <li> <a class="drop" href="https://www.iucr.org/resources/commissions/computing/newsletters/5">5</a> <ul> <li> <a href="https://www.iucr.org/__data/assets/pdf_file/0006/6378/iucrcompcomm_jan2005.pdf">Newsletter no. 5</a> </li> <li> <a href="https://www.iucr.org/__data/assets/file/0007/6379/dims_papers_data.zip">DIMS paper data</a> </li> </ul> </li> <li> <a class="drop" href="https://www.iucr.org/resources/commissions/computing/newsletters/6">6</a> <ul> <li> <a href="https://www.iucr.org/__data/assets/pdf_file/0004/6367/iucrcompcomm_sep2005.pdf">Newsletter no. 6</a> </li> </ul> </li> <li> <a class="current" href="https://www.iucr.org/resources/commissions/computing/newsletters/7">7</a> <ul> <li> <a href="https://www.iucr.org/__data/assets/pdf_file/0004/6358/iucrcompcomm_nov2006.pdf">Newsletter no. 7</a> </li> <li> <a href="https://www.iucr.org/resources/commissions/computing/newsletters/7/topos">topos</a> </li> </ul> </li> <li> <a class="drop" href="https://www.iucr.org/resources/commissions/computing/newsletters/8">8</a> <ul> <li> <a href="https://www.iucr.org/__data/assets/pdf_file/0016/6352/iucrcompcomm_nov2007.pdf">Newsletter no. 8</a> </li> <li> <a href="https://www.iucr.org/__data/assets/pdf_file/0017/6353/iucrcompcomm_nov2007_addendum.pdf">Newsletter no. 8 addendum</a> </li> </ul> </li> <li> <a class="drop" href="https://www.iucr.org/resources/commissions/computing/newsletters/9">9</a> <ul> <li> <a href="https://www.iucr.org/__data/assets/pdf_file/0010/10531/iucrcompcomm_oct2008.pdf">Newsletter no. 9</a> </li> </ul> </li> <li> <a class="drop" href="https://www.iucr.org/resources/commissions/computing/newsletters/10">10</a> <ul> <li> <a href="https://www.iucr.org/__data/assets/pdf_file/0019/27037/iucr_compcomm_teaching_nov2009_computing_addendum_screen_quality.pdf">Compcomm Newsletter No 10 - Computing Addendum - Screen Resolution PDF</a> </li> <li> <a href="https://www.iucr.org/__data/assets/file/0003/27039/gx_source.zip">GX suite source code file (zipped)</a> </li> <li> <a href="https://www.iucr.org/__data/assets/file/0013/27040/dims_appendices.zip">DIMS source code file (zipped)</a> </li> <li> <a href="https://www.iucr.org/__data/assets/file/0014/27041/caos_source_code.zip">CAOS source code file (zipped)</a> </li> <li> <a href="https://www.iucr.org/__data/assets/file/0015/27042/crystallographic_source_code_museum.zip">Armel Le Bail's Crystallographic Source Code Museum Nov 2009 snapshot (zipped)</a> </li> <li> <a href="https://www.iucr.org/__data/assets/pdf_file/0017/27044/iucr_compcomm_teaching_nov2009_screen_quality.pdf">CompComm Teaching Newsletter - November 2009 Screen Quality</a> </li> <li> <a href="https://www.iucr.org/__data/assets/pdf_file/0018/27045/iucr_compcomm_teaching_nov2009_press_quality.pdf">CompComm Teaching Newsletter - November 2009 Press Quality</a> </li> <li> <a href="https://www.iucr.org/__data/assets/file/0007/27088/crym.zip">CRYRM Suite Source Code</a> </li> </ul> </li> </ul> </li> <li><a class="drop" href="https://www.iucr.org/resources/commissions/computing/schools">compcomm schools</a> <ul> <li> <a class="drop" href="https://www.iucr.org/resources/commissions/computing/schools/kyoto1983">kyoto1983</a> <ul> <li> <a href="https://www.iucr.org/resources/commissions/computing/schools/kyoto1983/images">images</a> </li> <li> <a href="https://www.iucr.org/resources/commissions/computing/schools/kyoto1983/thumbnails">thumbnails</a> </li> </ul> </li> <li> <a class="drop" href="https://www.iucr.org/resources/commissions/computing/schools/1995-bangkok">bangkok1995</a> </li> <li> <a class="drop" href="https://www.iucr.org/resources/commissions/computing/schools/school96">bellingham1996</a> <ul> <li> <a href="https://www.iucr.org/resources/commissions/computing/schools/school96/full-contents">Full contents</a> </li> <li> <a href="https://www.iucr.org/resources/commissions/computing/schools/school96/editorial">editorial</a> </li> <li> <a href="https://www.iucr.org/resources/commissions/computing/schools/school96/acknowledgements">acknowledgements</a> </li> <li> <a href="https://www.iucr.org/resources/commissions/computing/schools/school96/introduction">introduction</a> </li> <li> <a href="https://www.iucr.org/resources/commissions/computing/schools/school96/the-protein-data-bank">protein data bank</a> </li> <li> <a href="https://www.iucr.org/resources/commissions/computing/schools/school96/structural-neighbours-and-structural-alignments">entrez</a> </li> <li> <a href="https://www.iucr.org/resources/commissions/computing/schools/school96/optimization-of-patterson-map-correlation">patterson map correlation</a> </li> <li> <a href="https://www.iucr.org/resources/commissions/computing/schools/school96/integration-of-direct-methods">integration of direct methods</a> </li> <li> <a href="https://www.iucr.org/resources/commissions/computing/schools/school96/electron-density-representation">electron density representation</a> </li> <li> <a href="https://www.iucr.org/resources/commissions/computing/schools/school96/lore">lore</a> </li> <li> <a href="https://www.iucr.org/resources/commissions/computing/schools/school96/guis">design of guis</a> </li> <li> <a href="https://www.iucr.org/resources/commissions/computing/schools/school96/surface-lexicography">surface lexicography</a> </li> <li> <a href="https://www.iucr.org/resources/commissions/computing/schools/school96/avs-interface-to-ccp4">ccp4 interface</a> </li> <li> <a href="https://www.iucr.org/resources/commissions/computing/schools/school96/ccp4-program-system">ccp4</a> </li> <li> <a href="https://www.iucr.org/resources/commissions/computing/schools/school96/the-mmcif-dictionary">mmcif</a> </li> <li> <a href="https://www.iucr.org/resources/commissions/computing/schools/school96/internet-for-crystallographers">internet</a> </li> <li> <a href="https://www.iucr.org/resources/commissions/computing/schools/school96/object-oriented-programming">object-oriented programming</a> </li> <li> <a href="https://www.iucr.org/resources/commissions/computing/schools/school96/photographs">photos</a> </li> <li> <a href="https://www.iucr.org/resources/commissions/computing/schools/school96/banquet-humour">banquet humour</a> </li> <li> <a href="https://www.iucr.org/resources/commissions/computing/schools/school96/technical-note">technical note</a> </li> </ul> </li> <li> <a class="drop" href="https://www.iucr.org/resources/commissions/computing/schools/hinxton-computing-school-1999">hinxton1999</a> </li> <li> <a class="drop" href="https://www.iucr.org/resources/commissions/computing/schools/siena-2005-crystallographic-computing-school">siena2005</a> <ul> <li> <a href="https://www.iucr.org/resources/commissions/computing/schools/siena-2005-crystallographic-computing-school/home">home</a> </li> <li> <a href="https://www.iucr.org/resources/commissions/computing/schools/siena-2005-crystallographic-computing-school/school-home">school home</a> </li> <li> <a href="https://www.iucr.org/resources/commissions/computing/schools/siena-2005-crystallographic-computing-school/programme">programme</a> </li> <li> <a href="https://www.iucr.org/resources/commissions/computing/schools/siena-2005-crystallographic-computing-school/speakers">speakers</a> </li> <li> <a href="https://www.iucr.org/resources/commissions/computing/schools/siena-2005-crystallographic-computing-school/venue">venue</a> </li> <li> <a href="https://www.iucr.org/resources/commissions/computing/schools/siena-2005-crystallographic-computing-school/registration">registration</a> </li> <li> <a href="https://www.iucr.org/resources/commissions/computing/schools/siena-2005-crystallographic-computing-school/travel">travel</a> </li> <li> <a href="https://www.iucr.org/resources/commissions/computing/schools/siena-2005-crystallographic-computing-school/accommodation">accommodation</a> </li> <li> <a href="https://www.iucr.org/resources/commissions/computing/schools/siena-2005-crystallographic-computing-school/contacts">contacts</a> </li> <li> <a href="https://www.iucr.org/resources/commissions/computing/schools/siena-2005-crystallographic-computing-school/useful-links">useful links</a> </li> <li> <a href="https://www.iucr.org/resources/commissions/computing/schools/siena-2005-crystallographic-computing-school/student-bursaries">student bursaries</a> </li> <li> <a href="https://www.iucr.org/resources/commissions/computing/schools/siena-2005-crystallographic-computing-school/speakers-notes">speakers' notes</a> </li> <li> <a href="https://www.iucr.org/resources/commissions/computing/schools/siena-2005-crystallographic-computing-school/sponsors">sponsors</a> </li> <li> <a href="https://www.iucr.org/resources/commissions/computing/schools/siena-2005-crystallographic-computing-school/organisers">organisers</a> </li> <li> <a href="https://www.iucr.org/resources/commissions/computing/schools/siena-2005-crystallographic-computing-school/school-history">history</a> </li> <li> <a href="https://www.iucr.org/resources/commissions/computing/schools/siena-2005-crystallographic-computing-school/accompanying-persons">accompanying persons</a> </li> <li> <a href="https://www.iucr.org/resources/commissions/computing/schools/siena-2005-crystallographic-computing-school/compcomm-logo">compcomm logo</a> </li> </ul> </li> <li> <a class="drop" href="https://www.iucr.org/resources/commissions/computing/schools/kyoto-2008-crystallographic-computing-school">kyoto2008</a> <ul> <li> <a href="https://www.iucr.org/resources/commissions/computing/schools/kyoto-2008-crystallographic-computing-school/home">home</a> </li> <li> <a href="https://www.iucr.org/resources/commissions/computing/schools/kyoto-2008-crystallographic-computing-school/school-home">school home</a> </li> <li> <a href="https://www.iucr.org/resources/commissions/computing/schools/kyoto-2008-crystallographic-computing-school/preamble">preamble</a> </li> <li> <a href="https://www.iucr.org/resources/commissions/computing/schools/kyoto-2008-crystallographic-computing-school/programme">programme</a> </li> <li> <a 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class="content three_quarter first"> <div id="content_div_149223"> <div id="content_div_6356"> <h1>Compcomm Newsletter No 7. November 2006</h1> <h2>(version updated 6th to 9th June 2008)</h2> <h3>(Seventh issue with the theme of "Understanding Crystal Structures")</h3> <h4>(This issue's editors - Simon Parsons and Lachlan Cranswick)</h4> <hr /> <h2><font color="#000080">Downloading the Newsletter</font></h2><a href="https://www.iucr.org/__data/assets/pdf_file/0004/6358/iucrcompcomm_nov2006.pdf">Click to download Compcomm Newsletter No 7 as an Adobe Acrobat PDF file (9.7 Meg)</a> (version updated 6th to 9th June 2008) <hr /> <h2>Articles/features in this issue</h2> <ul> <li><font size="2"><strong>IUCr Commission on Crystallographic Computing</strong></font></li> <li><font size="2"><strong>Advert for the Seventh Canadian Powder Diffraction Workshop</strong></font></li> <li> <p>Understanding Crystal Structures:</p> <ul> <li><font size="2"><strong>Multipurpose crystallochemical analysis with the program package TOPOS</strong> - <em>Vladislav A. Blatov</em></font></li> <li><font size="2"><strong>The XPac Program for Comparing Molecular Packings</strong> - <em>Thomas Gelbrich</em></font></li> <li><font size="2"><strong>The Pixel module of the OPiX computer program package: affordable calculation of intermolecular interaction energies for large organic molecules and crystals</strong> - <em>Angelo Gavezzotti</em></font></li> <li><font size="2"><strong>Quantifying the Similarity of Crystal Structures</strong> - <em>René de Gelder</em></font></li> <li><font size="2"><strong>Topological analysis of crystal structures</strong> - <em>Oleg V. Dolomanov</em></font></li> <li><font size="2"><strong>On the Detection of Solvent Accessible Voids in Crystal Structures with PLATON/SOLV</strong> - <em>Anthony (Ton) L. Spek</em></font></li> </ul> </li> <li> <p>Other Articles :</p> <ul> <li><font size="2"><strong>The charge flipping algorithm: a powerful and universal tool for the a priori solution of crystal structures in any dimension</strong> - <em>Gervais Chapuis and Lukas Palatinus</em></font></li> <li><font size="2"><strong>cctbx news</strong> - <em>Ralf W. Grosse-Kunstleve, Peter H. Zwart, Pavel V. Afonine, Thomas R. Ioerger and Paul D. Adams</em></font></li> <li><font size="2"><strong>An integrated three-dimensional visualization system VESTA using wxWidgets</strong> - <em>Koichi Momma and Fujio Izumi</em></font></li> <li><font size="2"><strong>Visual Graphic Library VGLIB5 for Crystallographic Programs on Windows PCs</strong> - <em>Kenji Okada, Ploenpit Boochatum, Keiichi Noguchi and Kenji Okuyama</em></font></li> <li><font size="2"><strong>Notes on the calculation of the derivatives for least-squares crystal structure refinement</strong> - <em>Riccardo Spagna</em> (version updated 6th to 9th June 2008)</font></li> </ul> </li> <li><strong><font size="2">Calls for contributions to Newsletter No. 8</font></strong></li> </ul> <hr /> <p><strong>Call for Contributions to the Next CompComm Newsletter</strong></p> <p><font size="2">The eigth issue of the Compcomm Newsletter is expected to appear around November of 2007 with the primary theme to be determined. If no-one is else is co-opted, the newsletter will be edited by Lachlan Cranswick.</font></p> <p><font size="2">Contributions would be also greatly appreciated on matters of general interest to the crystallographic computing community, e.g. meeting reports, future meetings, developments in software, algorithms, coding, historical articles, programming languages, techniques and other news.</font></p> <p><font size="2">Please send articles and suggestions directly to the editor.</font></p> <p><font size="2"><strong><em>Lachlan M. D. Cranswick</em></strong><br /> CNBC, National Research Council of Canada,<br /> Building 459, Station 18,<br /> Chalk River Laboratories,<br /> Chalk River, Ontario,<br /> Canada, K0J 1J0<br /> E-mail: <a href="mailto:lachlan.cranswick@nrc.gc.ca"><strong>lachlan.cranswick@nrc.gc.ca</strong></a><br /> WWW: <a href="http://neutron.nrc-cnrc.gc.ca/peep_e.html#cranswick">http://neutron.nrc-cnrc.gc.ca/peep_e.html#cranswick</a></font></p> </div> <div id="_page_maintenance_notes" style="width:100%;font-style:italic;font-size:small;"> <hr style="margin-top:2em;" /> <span style="text-align:left;">These pages are maintained by the Commission</span> <span style="text-align:right;float:right;">Last updated: 15 Oct 2021</span> </div> </div> </div> <div id="_layout_34" class="content three_quarter"></div> <div id="_layout_full" class="content"></div>   <div class="sidebar one_quarter" style="float:right;"></div> <style type="text/css">div#_layout_34{display:none;}/* allows proper flow */</style> <div 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