The November 2007 Seventh issue of the IUCr Computing Commission newsletter is available as an Adobe Acrobat PDF file via:
http://www.iucr.org/iucr-top/comm/ccom/newsletters/2007nov/ Besides having articles of general interest, this edition has the theme: 'Crystallographic Computing at Oak Ridge National Laboratory: 1954 to 1968' by William Busing Related to this is an addendum file of historical Oak Ridge National Laboratory software reports within an Adobe Acrobat PDF file The list of articles in this edition is given below. ================================================================== ================================================================== Crystallographic Computing at Oak Ridge National Laboratory: # Crystallographic Computing at Oak Ridge National Laboratory: 1954 to 1968 - William R. Busing # Early Stereoscopic Drawings generated by ORTEP-I for two crystallographic meetings: 1965 and 1966 - Carroll K. Johnson * Stereoscopic Drawings prepared for the joint ACA and MSA meeting, Gatlinburg, Tennesee, USA, June 27 - July 2, 1965. * Stereoscopic Drawings of Myoglobin, Vitamin B-12 coenzyme, and poly-L-alanine. Prepared for the Second Biophysical Congress, Vienna, Austria, September 5-9, 1966. ================================================================== ================================================================== Other Articles : # What you can expect from Jana2006 - Vaclav Petricek and Michal Dusek # Report from the GSAS-II Workshop: May 10-11, 2007 - Brian H. Toby and Robert B. Von Dreele # cctbx news - Luc J. Bourhis, Ralf W. Grosse-Kunstleve and Paul D. Adams # Rietveld refinement of structural distortion-mode amplitudes - Branton J. Campbell, John S. O. Evans, Francesca Perselli and Harold T. Stokes # MAX3D - Visualization of Reciprocal Space Volumes - Jim Britten and Weiguang Guan ================================================================== ================================================================== Newsletter 8 Addendum: Following historical software reports courtesy of ORNL : # A crystallographic least squares refinement program for the IBM 704, ORNL-CF-59-4-37, Oak Ridge, TN : Oak Ridge National Laboratory, 1959. - W. R. Busing and H. A. Levy # A crystallographic function and error program for the IBM 704, ORNL-CF-59-12-3, Oak Ridge, TN : Oak Ridge National Laboratory, 1959. - W. R. Busing and H. A. Levy # OR ABS : a FORTRAN program for calculating single crystal absorption corrections, ORNL-TM-229, Oak Ridge, TN : Oak Ridge National Laboratory, 1962. - D. J. Wehe, W. R. Busing and H. A. Levy # OR GLS : a general fortran least squares program, ORNL-TM-271, Oak Ridge, TN : Oak Ridge National Laboratory, 1962. - W. R. Busing and H. A. Levy # OR FLS, A Fortran crystallographic least-squares program, ORNL-TM-305, Oak Ridge, TN : Oak Ridge National Laboratory, 1962. - W. R. Busing, K. O. Martin, and H. A. Levy # OR FFE, a FORTRAN crystallographic function and error program, ORNL-TM-306, Oak Ridge, TN : Oak Ridge National Laboratory, 1964. - W. R. Busing, K. O. Martin, and H. A. Levy # OR TEP : A Fortran thermal-ellipsoid plot program for crystal structure illustrations, ORNL-3794, Oak Ridge, TN : Oak Ridge National Laboratory, 1965. - Carroll K. Johnson # OR TEP-II : a FORTRAN Thermal-Ellipsoid Plot Program for crystal structure illustration, ORNL-5138, Oak Ridge, TN : Oak Ridge National Laboratory, 1976. - Carroll K. Johnson ================================================================== ================================================================== Call for Contributions to the Next CompComm Newsletter The ninth issue of the Compcomm Newsletter is expected to appear around August of 2009 (2008 being an IUCr congress year) with the primary theme to be determined. If no-one is else is co-opted, the newsletter will be edited by Lachlan Cranswick. 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. http://www.iucr.org/iucr-top/comm/ccom/newsletters/ ================================================================== ================================================================== Previous Issues of the IUCr Computing Commission newsletter are online: 2006 * Compcomm Newsletter No. 7, November 2006 - 7th issue with the theme of "Understanding Crystal Structures". Editors - Simon Parsons and Lachlan Cranswick 2005 * Compcomm Newsletter No. 6, September 2005 - Sixth issue with the theme of "Presentations from the IUCr Crystallographic Computing School, Certosa di Pontignano, University of Siena, Tuscany, Italy, Thursday 18th - Tuesday 23rd August 2005". Newsletter collated by Lachlan Cranswick * Compcomm Newsletter No. 5, January 2005 - Fifth issue with the theme of "At Right Angles to Conventional Crystallographic reality: incommensurate structures, quasicrystals and pair distribution functions". Editors - Simon Billinge, Gervais Chapuis, Lachlan Cranswick and Ron Lifshitz 2004 * Compcomm Newsletter No. 4, August 2004 - Fourth issue with the theme of "Restraints, Constraints and using extra observables". Editor - Lachlan Cranswick * Compcomm Newsletter No. 3, January 2004 - Third issue - official announcement for the Siena Crystallographic Computing School (amongst other things). Editor - Lachlan Cranswick 2003 * Compcomm Newsletter No. 2, July 2003 - Second issue - more crystallographic computing. Editor - Lachlan Cranswick * Compcomm Newsletter No. 1, January 2003 - First issue - programming resources and methods. Editor - Lachlan Cranswick ================================================================== ================================================================== ----------------------- Lachlan M. D. Cranswick Contact outside working hours / Coordonnees en dehors des heures de travail: NEW E-mail / courriel: lc *at* bluehaze.com.au Home Tel: (613) 584-4226 ; Cell/mobile: (613) 401-6254 WWW: http://lachlan.bluehaze.com.au/ P.O. Box 2057, Deep River, Ontario, Canada, K0J 1P0 (please use clear titles in any Email - otherwise messages might accidentally get put in the SPAM list due to large amount of junk Email being received. If you don't get an expected reply to any messages, please try again.) (Essayez d'utiliser des titres explicites - sans quoi vos messages pourraient aboutir dans un dossier de rebuts, du fait de la quantite tres importante de pourriels recue. Si vous n'obtenez pas la reponse attendue, merci de bien vouloir renvoyer un message.)
