Updated IUCr Computing Commission Newsletter on-line - Jan 2002 edition

L. Cranswick lzc at dl.ac.uk
Tue Jan 28 07:20:13 EST 2003

Apologies for this resend:  There is a minor update version of 
the January 2003 edition of the IUCr Computing Commission Newsletter.
This fixes some minor typographical errors and figure caption
errors.  The most obvious typo being the spelling mistake in the
IUCr CompComm logo on the front page.  (If you still see this 
errant Logo - wait a day or try another IUCr mirror site to 
get the latest version of the PDF)

Available as an Acrobat PDF (~5Meg and 106 pages) (and also 
as a "degraded" HTML file) at:


and IUCr mirrors.  E.g.,:


Its main intended audience is that of crystallographic programmers;
people who like to look under the bonnet of the programs they are
using; and those interested in crystallographic programming.  There
are also general articles of possible interest to those who use
crystallographic software as a black box, and/or interested in topics
surrounding crystallographic computing.

The next intended issue is scheduled to appear around June/July 2003.
Submission of articles for this next edition are welcome.

A Table of contents for the current January 2003 edition follows.


Programming Articles :

     Modern crystallographic algorithms and data structures 
     (a very personal approach) - Joerg Bergmann

     The Fortran 77 Cambridge Crystallographic Subroutine
     Library (CCSL) - P. Jane Brown

     Cross-platform crystallographic graphics with wxWindows -
     Richard Cooper

     Portable graphic interface for the Fortran program Jana2000-
     Michal Dusek and Vaclav Petricek 

     Using the Salford Software Clearwin library for creating
     GUI's with FORTRAN - Louis Farrugia

     State of the Toolbox: an overview of the Computational
     Crystallography Toolbox (CCTBX) - Ralf W. Grosse-Kunstleve
     and Paul D. Adams

     Using advanced methods of computer graphics for
     crystallographic needs - Michal Husak

     Object Oriented programming and fast computation
     techniques in Maud, a program for powder diffraction analysis
     written in Java - Luca Lutterotti and Mauro Bortolotti

     Crystallographic Fortran 90 Modules Library (CrysFML): a
     simple toolbox for crystallographic computing programs. -
     Juan Rodriguez-Carvajal and Javier Gonzalez-Platas

     Use of JAVA applets for teaching - Jean-Jacques Rousseau

     Cross-platform C++ GUI development using Qt - 
     Barry R. Smith

     Old Wine in New Bottles: Creating Graphical User Interfaces
     for FORTRAN programs via Tcl/Tk - Brian Toby

General Articles : 

     Fitting Equations of State - Ross J. Angel and Ian G. Wood

     The Threat of Patents on Crystallographic Algorithms and
     Software - Vincent Favre-Nicolin

     Order through random numbers : Indexing and solving crystal
     structures from powder diffraction data using Monte Carlo
     methods - Armel Le Bail 

     A Protein Crystallographer's Toolkit: Essential programs for
     successful structure determination - Claire Naylor

     Merging data from a multi-detector continuous scanning
     powder diffraction system - Jon Wright, Gavin Vaughan and
     Andy Fitch

     ccp4i - the CCP4 graphical user interface - Martyn Winn

Meeting, workshop and school reports

Future Symposia and meetings relevant to Crystallographic

Calls for contributions to Newsletter No. 2


Lachlan M. D. Cranswick

Collaborative Computational Project No 14 (CCP14)
    for Single Crystal and Powder Diffraction
  Birkbeck University of London and Daresbury Synchrotron Laboratory 
Postal Address: CCP14 - School of Crystallography,
                Birkbeck College,
                Malet Street, Bloomsbury,
                WC1E 7HX, London,  UK
Tel: (+44) 020 7631 6850   Fax: (+44) 020 7631 6803
E-mail: l.m.d.cranswick at dl.ac.uk   Room: B091
WWW: http://www.ccp14.ac.uk/

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