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Durban2003-proposals from SIG#9

  • To: Multiple recipients of list <ecacomsig@iucr.org>
  • Subject: Durban2003-proposals from SIG#9
  • From: spea@chem.uu.nl (a.l.spek)
  • Date: Sat, 14 Sep 2002 12:09:53 +0100 (BST)
Dear Jan,

	Appended our proposals for a successfull DURBAN2003.

Best wishes


Proposals from SIG#9 for sessions on Computing 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?"

Chairpersons: Robin Shirley       
# Prof. Dr. A.L.Spek, Laboratory of Crystal and Structural Chemistry       #
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