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Re: IUCr congress - CompComm nominations and suggested symposia -

Hello
	I Imagine that Gervais will report on the teaching school in Siena, but my 
opinion was that it went very well, and that most students were happy with it- 
but we will have to wait for the analysis of the questionaire to be sure.

At the school, I talked with Peter Main about 'Charge Flipping'.  It turns out 
that he has bee using the method for years, and that the technique is well known 
in numerical analysis circles under the name of 'Sucessive Over Relaxation', and 
it is even described in Numerical Recipies.  Peter has been using it for solving 
pseudo-symmetric Z'>1 structures.

Best wishes
David

a.l.spek wrote:
> Dear Lachlan,
> 
> How was the Siena meeting ? Anything interesting to report on ?
> 
> Our meeting in Leuven went well. I already mentioned the 'charge
> flipping' technique in Siena. In Leuven it became clear to me that this
> new method to solve structures is very promising. The method was first
> reported by Gabor Oszlanyi & Suto in 2004 (who was also a speaker in 
> my session). It now turns out that the method is also used successfully
> to solve powder and incommensurate structures.
> 
> So, coming back from Leuven, I massaged the tools that are already in
> PLATON for SQUEEZE into a tool named FLIPPER to implement charge
> flipping. And indeed, the method solves structures from scatch without
> previous knowledge of the spacegroup (a job for ADDSYM afterwards). 
> The UNIX implementation is on the WEB. Louis Farrugia is working to
> get things working under Windows as well. (Louis is currently
> handicapped with a broken leg and forced to stay at home).
> 
> 
>>For the request of the XXI Japan IUCr Congress for CompComm reps on
>>the international program committee:
> 
> 
> This was on my list 'to do' to contact you on. I did not know that you
> received similar requests.
> 
> I would think that you are the best person to represent the committee
> in Japan. I hope that you can accept. 
> 
> I do not think that I know Izumi. Is he involved in computing ?
> 
> As for your suggestions for subjects:
> 
> I think that your suggestions are in line with my idea that there
> should be a number of slots of the type you suggested for people 
> doing software development etc.
> 
> I have not approached yet our Japanese member but will do this week.
> 
> What we need is an interesting covering theme.
> 
> Best wishes for now
> 
> Ton
> 
> 
>>
>>
>>
>>Could I suggest:
>>
>>Simon Parsons in the UK and Fujio Izumi in Japan.
>>
>>Are there other suggestions?
>>
>>-------
>>
>>Also, is now a good time to try and get an initial list of proposed
>>symposia:  To try and get things started:
>>
>>  New algorithms for macromolecular crystallography
>>
>>  New algorithms for single crystal and powder diffraction
>>
>>  New algorithms incommensurate, non-periodic and magnetic crystallography
>>
>>  Interfacing crystallographers to computational software
>>  
>>Lachlan
>>
>>
>>-----------------------
>>Lachlan M. D. Cranswick
>>Contact outside working hours /
>>  Coordonnees en dehors des heures de travail:
>>NEW E-mail / courriel:  lc *at* bluehaze.com.au
>>Home Tel: (613) 584-4226   ;   Mobile/Cell: 613 401 3433   
>>WWW: http://lachlan.bluehaze.com.au/
>>        P.O. Box 2057, Deep River, Ontario, Canada, K0J 1P0
>>
>>(please use clear titles in any Email - otherwise messages might
>>accidentally get put in the SPAM list due to large amount of junk
>>Email being received. If you don't get an expected reply to any
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>>
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>>_______________________________________________
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>>compcomm@iucr.org
>>http://scripts.iucr.org/mailman/listinfo/compcomm
>>
> 
> 
> 
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