http://www.ccp4.ac.uk/html/watertidy.html
On 10/29/2013 04:43 PM, Elise B 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
>
--
Oh, suddenly throwing a giraffe into a volcano to make water is crazy?
Julian, King of Lemurs
