1 Mar
2011
1 Mar
'11
3:31 a.m.
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 Eric Pettersen UCSF Computer Graphics Lab http://www.cgl.ucsf.edu