From: Kevin Keating <Kevin.Keating@ya...> - 2009-05-25 23:16:42
I'm trying to examine electrostatics for an RNA molecule. I've
calculated an electrostatics map using Qnifft (which outputs the map as
a .phi file). I can read the .phi file into PyMol and color my
molecular surface using the map. What I'm hoping to do is
quantitatively determine the potential at a given spot on the surface.
In Spock (http://quorum.tamu.edu/) , I can click on a spot on the
surface and it will print out a the potential at that spot. Is there
any similar ability within PyMol? Alternatively, is there any way to
determine the surface potential for a specified atom? I'm hoping to do
this in PyMol because Spock can only read in maps up to 129x129x129
units in size, and PyMol seems to handle the largest maps that Qnifft
can generate. I did a search through the list archives and found a few
questions that related to electrostatics, but didn't find anything to
help me with this issue.
Thanks in advance,
Pyle lab, Yale University
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