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
