Hi all,
does anyone know if there is a way to detect spatially conserved water
molecules in a protein binding site? The usual clustering with ptraj is
tied to specific residues, but what if waters at a certain position keep
swapping, but there is always a water presense there?
Is there a way to check for that? And if that's possible, how could I
cluster possible water orientations at that position?
Thanks in advance for any hints
Sasha
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Received on Mon Mar 29 2010 - 15:00:03 PDT
