Jeff,
I'm not sure if it will substitute for you, but the eF-site server
colors surfaces using a hydrophobicity color scale as well as an
electrostatic potential scale. The output is in a form that Jmol can
read, (efvet file) as of the next release.
http://ef-site.hgc.jp/eF-surf/index.jsp
does the calculation on a pdb file you upload, and
http://ef-site.hgc.jp/eF-site/
is a database but not all files are available, I have not yet figured
out why. If a file is not available there, you can upload it to the
first site above. The calculation takes a couple of hours, and they
email you when it is done.
HTH,
Frieda
On Nov 10, 2008, at 5:32 PM, Jeff wrote:
I know this was brought up many months ago From what I could gather
from
a search of the archives is that this is apparently hard to do. In
Chime, it is nice to show those small molecules and compare their
water
solubility. It was not clear if anyone had taken on the task. Has
anyone
worked on this?
Thanks,
Jeff
Southfield-Lathrup High School
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Frieda Reichsman, PhD
Senior Research Scientist
The Concord Consortium
http://concord.org
25 Love Lane
Concord, MA 01742
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