You might also want to try:
http://www.ncbi.nlm.nih.gov/pubmed?term=12499536
Cheers,
Stephen
On 15 June 2011 02:09, Robbie Joosten <[log in to unmask]> wrote:
> Hi Wolfram,
>
> This was an early study on the subject:
> http://www.ncbi.nlm.nih.gov/pubmed/8594192
> The software is still accessible via the STAN server.
>
> Cheers,
> Robbie
>
>> Date: Tue, 14 Jun 2011 17:51:21 -0400
>> From: [log in to unmask]
>> Subject: [ccp4bb] non-waters among structured solvent atoms
>> To: [log in to unmask]
>>
>> Dear colleagues,
>> following a discussion in our lab, I have volunteered to dig out
>> articles from the literature about erroneous assignments of non-water
>> entities such as metal ions, halides in protein models. For example I
>> have the faint recollection that data mining of the PDB for suspect
>> "water" assemblies matching the geometry of coordinated cations has
>> previously been described. But none of my google searches has turned
>> up the references I was looking for. Could someone point me in the
>> right direction, please?
>> Many thanks,
>> Wolfram Tempel
>
--
Dr Stephen Graham
1851 Research Fellow
Cambridge Institute for Medical Research
Wellcome Trust/MRC Building
Addenbrooke's Hospital, Hills Road
Cambridge, CB2 0XY, UK
Phone: +44 1223 762 638
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