On Tue, Jun 14, 2011 at 2:51 PM, wtempel <wtem...@gmail.com> wrote: > 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? >
Do you mean metals incorrectly annotated as waters, or vice-versa? The latter case is discussed here: http://www.ncbi.nlm.nih.gov/pubmed/18614239 -Nat
