[Neutron] STX:RIET:cly:neu: IUCr Computing Commission Newsletter on-line - Jan 2002 edition

Lachlan Cranswick l.m.d.cranswick at dl.ac.uk
Mon Jan 27 11:38:25 CST 2003

The first edition of the IUCr Commission on Crystallographic 
Computing Newsletter is now 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 González-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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