Re: Concept-Proposal of the ComSIG

[Robin Shirley <R.Shirley@surrey.ac.uk>]

Dear Ton

Please could we have a clearly-identified session (perhaps in 
conjunction with the Powder) SIG for powder-indexing and 
related topics (peak-searching, symmetry determination, etc)?

This is a quite distinct field from powder structure determination and
would make a timely session as it recently become a hot topic. 

How about:

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

I would be happy to Chair/Co-Chair this if required.

With best wishes

Robin Shirley

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

Date:          Fri, 13 Sep 2002 11:52:06 +0100 (BST)
Reply-to:      ecacomsig@iucr.org
From:          spea@chem.uu.nl (a.l.spek)
To:            Multiple recipients of list <ecacomsig@iucr.org>
Subject:       Concept-Proposal of the ComSIG

Dear Members of SIG #10:


	I have put together a concept-proposal for four computing
related sessions in DURBAN-2003 based on the suggestions and comments 
received sofar (Sept 13, 12.00).

Please feel free to comment. 
The final proposal will have to be sent by this weekend.

Thans for your input sofar.

Best Wishes

Ton Spek (Chairman)

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



                          *** Concept ***

Proposals for sessions on Computing at the DURBAN-2003 Meeting
==============================================================

The computing SIG#10 has the following proposals for four computing
related Micro-symposia. When accepted, those sessions should not coincide
in time and 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  Spek/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?" 

      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?" 

      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.