[Chimera-users] Internal water molecules

Eric Pettersen pett at cgl.ucsf.edu
Mon Feb 28 19:31:14 PST 2011

On Feb 28, 2011, at 11:44 AM, Beale, John wrote:

> Hello,
> 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.

Hi John,
	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"?


                         Eric Pettersen
                         UCSF Computer Graphics Lab

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