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Re: DURBAN-2003

• To: Multiple recipients of list <ecacomsig@iucr.org>
• Subject: Re: DURBAN-2003
• From: "Eleanor J. Dodson" <ccp4@ysbl.york.ac.uk>
• Date: Fri, 13 Sep 2002 12:18:31 +0100 (BST)

David Watkin wrote:
> 
> hello
>         Here are my proposals - sorry they are late but I have been at a
> workshop etc since returning from Geneva.


 Only comments on protein stuff
> 
> 2. Diffraction image processing.  At Glasgow I accidentally found myself in
> a protein
> session, where Major was giving an excellent presentation on how Denzo
> works.
> Lots of small molecule people missed it.  Duisenberg (?) gives an excellent
> talk on
> shoebox fitting (EVALCCD).  Something to reassure the users about the
> virtues ( and methods) in using spherical harmonics to model anisotropy
> (absorption) in the diffraction data (SADABS, SORTAV, SCALEPACK)


 Lots of automation initiatives centred round ESRF and synchrotons.
Andrew Leslie, Harry Powell are european and can contribute - ditto ESRF
people..

> 
> 3 Something about data collection itself. 

  Any talk about 1 would prob have a component of this too..

> 
> 4. Algorithms.  Dale Tonrud does an excellent talk showing how the several
> refinement algorithms are related (from CG to ML). 

 Garib Murshudov is coming, and we had planned a MX session on
refinement..

 It overlaps with automation of course..

 > 5. Validation (as ever!).  Spotting that something might be wrong has
become
> a fine
> art, but it still needs a crystallographer to check if something is in fact
> wrong, and to
> suggest how it might be put right.  How wrong does wrong have to be before a
> paper
> is rejected?  Links back to item 3.  Distinguish between wrong and poor.  Is
> a poor
> structure better than no structure?
> 


 Relates to all discussions on structural genomics..


 Eleanor 

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Eleanor J.Dodson, York Structural Biology Laboratory,
                  Chemistry Department, 
                  University of York, Y01 5DD Heslington, U.K.
Tel: Work: +44 (1904) 32 82 53  Home +44 (1904) 42 44 49
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