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[sdpd] November 2006 issue of the IUCr Computing Commission newsletter on-line
The November 2006 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/2006nov/
Besides having articles of general interest, this edition has
the theme:
"Understanding Crystal Structures"
Editors: Simon Parsons and Lachlan Cranswick
The list of articles in this edition is given below.
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Understanding Crystal Structures:
* Multipurpose crystallochemical analysis with the program package TOPOS
- Vladislav A. Blatov
* The XPac Program for Comparing Molecular Packings - Thomas Gelbrich
* The Pixel module of the OPiX computer program package: affordable
calculation of intermolecular interaction energies for large organic
molecules and crystals - Angelo Gavezzotti
* Quantifying the Similarity of Crystal Structures - Rene de Gelder
* Topological analysis of crystal structures - Oleg V. Dolomanov
* On the Detection of Solvent Accessible Voids in Crystal Structures
with PLATON/SOLV - Anthony (Ton) L. Spek
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Other Articles :
* The charge flipping algorithm: a powerful and universal tool for the a
priori solution of crystal structures in any dimension - Gervais Chapuis
and Lukas Palatinus
* cctbx news - Ralf W. Grosse-Kunstleve, Peter H. Zwart, Pavel V.
Afonine, Thomas R. Ioerger and Paul D. Adams
* An integrated three-dimensional visualization system VESTA using
wxWidgets - Koichi Momma and Fujio Izumi
* Visual Graphic Library VGLIB5 for Crystallographic Programs on Windows
PCs - Kenji Okada, Ploenpit Boochatum, Keiichi Noguchi and Kenji Okuyama
* Notes on the calculation of the derivatives for least-squares crystal
structure refinement - Riccardo Spagna
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Call for Contributions to the Next CompComm Newsletter
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.
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/
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Previous Issues of the IUCr Computing Commission newsletter are
online:
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
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-----------------------
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 ; Mobile/Cell: 613 401 3433
WWW: http://lachlan.bluehaze.com.au/
P.O. Box 2057, Deep River, Ontario, Canada, K0J 1P0
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