Dear All: Many thanks for your comments and inputs!
Uma On Sat, Nov 23, 2013 at 7:14 PM, Uma Ratu <[email protected]> wrote: > Dear All: > > > I use Coot to check water molecules in my model. > Most of them are in good coordinates for water. > > Some of these waters have unusual coordinates. > > For example, one is in the H-bond distance with 2 nitrogen and 2 oxygen of > protein residues, plus one oxygen from ligand (W_230.jpg), and the other is > in the H-bond distance with 3 nitrogen, 1 oxygen of protein residue, > plus one water(W_300.jpg). > > Would you advice if these molecules are water, or something else, ions? > > I tried Coot - "highly coordinated water", and "check/delete water". > The program does not pick up anything unusual. > > Thank you > > Uma > >
