Commission on Crystallographic Computing

Compcomm Newsletter No 9. October 2008

(with the theme of: 'Presentation notes from the IUCr Computing School, Kyoto, Japan, 18th to 23rd August, 2008')

(This Issue's Editor - Lachlan Cranswick)

Downloading the Newsletter

Click to download Compcomm Newsletter No 9 as an Adobe Acrobat PDF file (45 Meg)

Articles/features in this issue

  • IUCr Commission on Crystallographic Computing
  • Participants of the IUCr Computing School, Kansai Seminar House, Kyoto, Japan, Monday 18th -Saturday 23rd August 2008
  • Announcement of PHARE2009: modular workshop on global phase retrieval, Martina Franca, Italy, 15-24 April 2009
  • Kyoto 2008 IUCr Computing School Talk Notes :

    • Introductory talk - Ton Spek
    • Integrated Crystallography: The CRYSTALS Experience - David Watkin
      • Summary notes
      • Talk Slides
    • Symmetry in crystallographic applications - Ralf Grosse-Kunstleve
    • Introduction to Bayesian statistics for Crystallography - Tom Terwilliger
      • Talk Slides
      • Exercises
      • Solutions to exercises
    • Software attached to hardware - Rob Hooft
    • Data reduction: d*TREK - James W. Pflugrath
    • Data reduction: MOSFLM - Harry Powell
    • Small-angle scattering from macromolecular solutions - Dmitri Svergun
    • Small Molecule: The PLATON Toolbox - Ton Spek
    • Small Molecule Toolbox - Luc Bourhis
    • Charge flipping - Gabor Oszlanyi
    • Powder diffraction: GSAS - Brian Toby
    • Pair Distribution Function: DiffPy - Christopher Farrow
    • Direct-method SAD phasing and dual-space model completion - Hai-Fu Fan
    • Macro-molecular structure solution and refinement: SHARP and BUSTER - Clemens Vonrhein
    • Automated refinement for protein crystallography: LAFIRE - Min Yao
  • Participant Presentations:

    • Development of novel synchrotron single-crystal XRD techniques for high-pressure science - Przemyslaw Dera
    • A Tale of COD - Saulius Grazulis
    • Data collection strategy - Mathias Meyer
  • Calls for contributions to Newsletter No. 10

Call for Contributions to the next CompComm Newsletter

The 10th issue of the Compcomm Newsletter is expected to appear around March of 2009 with the expected primary theme of 'Age Concern'. 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.

Please send articles and suggestions directly to the editor.

Lachlan M. D. Cranswick
CNBC, National Research Council of Canada,
Building 459, Station 18,
Chalk River Laboratories,
Chalk River, Ontario,
Canada, K0J 1J0

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