[Protein-crystallography] November 2007 issue of the IUCr Computing Commission Newsletter on-line

lc from bluehaze.com.au via xtal-log%40net.bio.net (by lc from bluehaze.com.au)
Mon Nov 5 19:22:11 EST 2007


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.

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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.

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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

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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

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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/

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==================================================================

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

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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 ; Cell/mobile: (613) 401-6254
WWW: http://lachlan.bluehaze.com.au/
        P.O. Box 2057, Deep River, Ontario, Canada, K0J 1P0

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