Teaching Commission Newsletter No 3 / CompComm Newsletter No 10 : November 2009

(with the theme of: 'Age Concern')

(This Issue's Editor - Lachlan Cranswick)

Downloading the Newsletter

Teaching Commission Newsletter No 3 as an Adobe Acrobat PDF file (9 Meg Screen Resolution PDF) | (15 Meg Printer Resolution PDF)

Newsletter 10 Addenda:


Articles/features in this issue

  • IUCr Commission on Crystallographic Computing
  • IUCr Commission on Crystallographic Teaching
  • Age Concern:

    • Age Concern - the Background - Judith A. K. Howard and David J. Watkin
    • Small Molecule ToolBox - Luc J. Bourhis, Richard J. Gildea, Oleg V. Dolomanov, Judith A.K. Howard & Horst Puschmann
    • Small Molecule Crystallography Toolkit - Mustapha Sadki
    • Olex2 - A Crystallographic System for the Future - Oleg V. Dolomanov, Luc J. Bourhis, Richard J. Gildea, Judith A. K. Howard & Horst Puschmann
    • CRYRM - David Duchamp, Larry Henling & Richard Marsh
    • DIMS - Direct methods In Multidimensional Space - Hai-fu Fan & Yuan-xin Gu
    • About Crunch 1.5 Direct Methods Software - R. de Gelder, R.A.G. de Graaff & W.J. Vermin
    • Experience converting a large Fortran-77 program to C++ - Ralf Grosse-Kunstleve, Thomas C. Terwilliger & Paul D. Adams
    • Crystallographic Computing in Glasgow: The GX Program System - Kenneth W. Muir
    • The Quick and Dirty Crystallographic Computer Program - Joseph H. Reibenspies
    • 1974-76: The first version of CAOS for the HP 21MX minicomputer - Riccardo Spagna
    • FORTRAN package to handle a direct access file - Riccardo Spagna
    • FORTRAN routines to create and use a Crystallographic Database - Riccardo Spagna
    • PLATON: Past, Present and Future - Ton Spek
    • List of programs archived at Armel Le Bail's Crystallography Source Code Museum
  • Historical Computing and Teaching School Photographs::

    • Some Photographs and Reminiscences from the Computing Schools of the 1970's - Ton Spek
    • Photographs from the Erice 1978 School on Direct Methods for Solving Crystal Structures (27 March to 9 April 1978) - Lodovico Riva
    • Group photograph from the NATO School on the Experimental Aspects of X-ray and Neutron Diffraction, Aarhus, Denmark, 1972 - David Watkin
  • Call for Contributions to the Next CompComm Newsletter

Newsletter 10 Addendum A: Historical teaching material:

  • Practical Aspects of Direct Phase Determination - Isabella L. Karle (presented at the Erice School: Direct Methods for Solving Crystal Structures, 27 March to 9 April 1978)
  • Partial Structures and use of the Tangent Formula - Isabella L. Karle (presented at the Erice School: Direct Methods for Solving Crystal Structures, 27 March to 9 April 1978)
  • The Analytical Theory of Point Systems (1923) - J. D. Bernal (1901-1971) (with Introductions by Alan Mackay and Rolph Schwarzenberger)

Newsletter 10 Addendum B: Computing Software manuals and reference materials from Age Concern Articles:

  • User's Guide to the CRYRM Crystallographic Computing System (December 1964) - David J. Duchamp
  • The CRYM Crystallographic Computing System (1991) - David J. Duchamp, Richard E. Marsh, Jean Westphal and many co-workers
  • About Crunch 1.5 (including scripts) - R. de Gelder, R.A.G. de Graaff & W.J. Vermin
  • CRYRM suite source code (as separate zip file) - David Duchamp, Larry Henling & Richard Marsh
  • GX Manual (source code as separate zip file) - Ken Muir
  • CAOS Manual (source code as separate zip file) - R. Spagna
  • DIMS (source code as separate zip file) - Hai-fu Fan
  • Crystallography Source Code Museum (as separate zip file)