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Re: IUCr Computing topics and plenary speaker for IUCr XXI?


>>- Validating structures by use of crystallographic databases
>>
> 
> Somebody from the CCDC ?
> 
> 
We now use MOGUL as a validation tool alongside PLATON, and anything which 
encourages other people to do the same would be a good thing. In cases where the 
crystallographic validation is marginal (high R, low completeness etc etc) the 
verification that every bond and every angle (for each detailed environment) 
fits in with the data accumulated in the CSD is comforting, even if it doesnt 
prove the structure to be correct.

If CCDC cannot oblige with a speaker, Im sure Richard Cooper could do something

richardiancooper@gmail.com


Best wishes
DAvid
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