Mailing list of the European Crystallographic Association Computing SIG

L. Cranswick lzc at dl.ac.uk
Thu Oct 3 10:55:49 EST 2002


This is a quickish reminder style post about the mailing 
list for the European Crystallographic Association Computing SIG

Homepage at:
  http://www.iucr.org/iucr-top/lists/ecacomsig/ 

To subscribe:  Send an email message to the address:

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Containing in the body of the message the line 

          subscribe ecacomsig <Your Name>

e.g.,

  subscribe ecacomsig  Lachlan Cranswick

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The primary use of the list is to discuss ECA Computing SIG
issues - which so far have mainly related to suggesting and
discussing computing symposia for ECA meetings and 
conferences.  Of which the next ECA meeting is in 
Durban 2003:

  http://www.ecm21-africa.co.za

--------------------

As is visible at: http://www.iucr.org/iucr-top/lists/ecacomsig/msg00052.html
following are the proposals from ECA computing SIG for
at the DURBAN-2003 Meeting

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

The computing SIG#9 has the following proposals for four computing
related Micro-symposia. When accepted, those sessions should not coincide
in time and should ideally programmed one each day (This worked perfectly
during the previous meeting in Krakau).

#1 - "Automatic Structure Determination Software: What has been achieved
      sofar? What are the problems to be solved"

      Proposed Chair/Co-Chair  A.L.Spek/G.J.Kruger

      This is a hot issue diffractometer suppliers are working on.
      However, it will be healthy to know about the public domain 
      options as well. Automation can be a rich source of interesting
      problems to be addressed and solved.     


#2 - "Modern Programming Languages and Programming Techniques:
      Can they lead to higher reliability and programmer productivity"

      Proposed Chair/Co-Chair Rob Hooft/Lachlan Cranswick 

      The next generation will likely use object oriented programming
      languages rather than the old 'trusted' Fortran .. 
      It is of interest to both small and macromolecule people.


#3 - "Diffraction Image Processing: What are the options for improved
      data quality?" 

      Proposed Chair/Co-Chair: Eleanor Dodson/...

      This session might address issues related to 'non-standard' 
      crystals (twinning, incommensurate, weak diffracting etc.) 
      It is of interest to both small and macromolecule people.

#4 - "Algorithms of the Future: Which are the new algorithms we should
      know about for future software development?" 

      Proposed [Chair/Co-Chair: David Watkin/ Sacha Urzhumtsev

      This session might address genetic algorithms etc. Applications
      may be found both in the small molecule (powder) and
      macromolecular realm. 


In addition, there is a proposal by Robin Shirley for a session together
with SIG#8 (Powder Diffraction)


"Software for Powder Indexing: increasingly the rate-limiting step in
determining structures from powders.  An opportunity for new heuristic
and global optimisation methods?"

----------------



-- 
-----------------------
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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