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Re: IUCr Computing topics and plenary speaker for IUCr XXI?
- To: Discussion list of the IUCr Commission on Crystallographic Computing <compcomm@iucr.org>
- Subject: Re: IUCr Computing topics and plenary speaker for IUCr XXI?
- From: David Watkin <david.watkin@chemistry.oxford.ac.uk>
- Date: Wed, 10 Jan 2007 08:04:53 +0000
- Cc: compcomm-l@iucr.org
- In-Reply-To: <20070109134118.0594CAFF@platon.chem.uu.nl>
- References: <20070109134118.0594CAFF@platon.chem.uu.nl>
>>- 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 _______________________________________________ compcomm mailing list compcomm@iucr.org http://scripts.iucr.org/mailman/listinfo/compcomm
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