Frieda,
I will check out and dabble with this. I'll put in a bunch of time
during the Thanksgiving break when I've got some more time.
I'll report back.
Thanks much,
Jeff
On 11/12/2008 8:11 PM, Frieda Reichsman wrote:
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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The Concord Consortium
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