Dear Ton,
I fully agree with your proposed session for the "small molecule"
world. The question of automation is indeed hot and of  general interest.

I also strongly encourage the setting up of sessions in collaboration
with other SIGs. Can anything be arranged also with the powder or
the charge density people; they certainly have a lot of computing.
For instance a rather hot topic is that of the data reduction softwares
for CCD or IP measures when very accurate data are required for charge
density studies. I heard several complaints about the existing
softaweres.

Best wishes

Davide

At 07.13 11/09/2002 +0100, you wrote:
>Dear Computing SIG members,
>
>         The deadline for the submission of proposals for sessions at
>the DURBAN-2003 meeting is approaching rapidly (Sept 15).
>
>
>         Up to now, we received only suggestions for a macromolecular
>computing session (Thanks!).
>
>No proposal for a small molecule computing session reached this list
>yet.
>
>For that reason I offer the following suggestion:
>
>"Automatic Structure Determination Software: What has been achieved so
>far?
>  What are the problems to be solved?"
>
>This is certainly a hot issue diffractometer suppliers are working on.
>However, it will be healthy to know about the public domain options as
>well. Anyway, automation can be a rich source of interesting problems to
>be addressed and solved.
>
>Best wishes
>
>Ton Spek
>
>Chairman of the ECA-Computing Commission
>--

Davide Viterbo, Prof.
Dip. di Scienze e Tecnologie Avanzate - Università del
Piemonte Orientale "A. Avogadro" - Corso T. Borsalino 54,
I-15100 Alessandria, Italy

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