Thanks everyone for the tips. Actually, I need this information to improve my analysis on drug/protein interaction. Best regards:)
Gerardo A. Libreros Universidade de São Paulo Laboratório de Biologia Estrutural Aplicada Sent from my iPhone > On 7 Jun 2017, at 18:34, Jared Sampson <jared.samp...@columbia.edu> wrote: > > Hi Gerardo - > > Something based on distance alone (and not e.g. H-bonding network) could be > done in a straightforward fashion in PyMOL: > > select close_wats, (object1 and solvent) within 1 of (object2 and solvent) > hide everything, solvent > as nb_spheres, close_wats > > This would give you only the waters in object 1, but you could expand this > logic and include the object2 waters as well. > > select close_wats, close_wats or ((object2 and solvent) within 1 of > (object1 and solvent)) > > Hope that helps. > > Cheers, > Jared > > >> On Jun 6, 2017, at 7:30 PM, gerardo andres >> <0000130afa955101-dmarc-requ...@jiscmail.ac.uk> wrote: >> >> Hi everyone, does anyone know any strategy or program (besides pywater) to >> identify conserved waters in a protein? >> >> Thanks, >> >> Gerardo >