[Chimera-users] Internal water molecules
pett at cgl.ucsf.edu
Mon Feb 28 19:31:14 PST 2011
On Feb 28, 2011, at 11:44 AM, Beale, John wrote:
> Is it possible, in Chimera, to select only the internal water
> molecules of a protein structure? I need to find out how many water
> molecules enter the protein structure from the outside during a
> molecular dynamics simulation.
I pretty sure this requires some (possibly simple) Python scripting.
No script can really be written though without the answer to this
question: what is your definition of "internal"?
UCSF Computer Graphics Lab
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