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
