VMD-L Mailing List

From: John Stone (johns_at_ks.uiuc.edu)
Date: Tue Aug 31 2004 - 15:35:15 CDT

Perhaps you can calculate quantities like this with APBS, Delphi, or
a similar tool?
  http://agave.wustl.edu/apbs/
  http://honiglab.cpmc.columbia.edu/delphi/intro.html

  John Stone
  vmd_at_ks.uiuc.edu

On Tue, Aug 24, 2004 at 11:12:51AM -0700, Shirley Li wrote:
> Dear All,
>
> For a protein structure, I wonder how to determine the SURFACE CHARGE DISTRIBUTION residue by residue. I know Solvent Accessible Surface Area reflects the distribution to some extent . While I would like to get the direct measurement of the charge distribution on protein surface.
>
> Your help will be very much appreciated.
>
> Best regards,
>
> Shirley
>
>
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-- 
NIH Resource for Macromolecular Modeling and Bioinformatics
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