Downloading structures of the same homologous family with blast. Then superimpose them on a reference structure. You may then try to look at over lapping water molecules On 30 Oct 2013 02:23, "Elise B" <ek...@case.edu> wrote:
> Hello, > > I am working on a project with several (separate) structures of the same > protein. I would like to be able to compare the solvent molecules between > the structures, and it would be best if the waters that exist in roughly > the same position in each PDB share the same residue number. Basically, I > want to compare solvent molecule coordinates and assign similar locations > the same name in each structure. > > What would be the best strategy for re-numbering the water molecules such > that those with similar coordinates in all the structures receive the same > residue number? I'd appreciate any suggestions. > > Elise Blankenship > >
