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 <robbie_joos...@hotmail.com> 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: wtem...@gmail.com >> Subject: [ccp4bb] non-waters among structured solvent atoms >> To: CCP4BB@JISCMAIL.AC.UK >> >> 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
