[Xplor-nih] A script for solvent modelling

[Charles at Schwieters.org]

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Hello David--

> 
> I am working on a 17 residue long hydrophilic peptide. I would like to
> incorporate some solvent energy terms into the calculation. Are there any
> functions/scripts which can do this well using the xplor python interface? I
> have looked around on the site and can only find a script from an FTP source by
> Jens Linge. Is there anything else around?
> 

I don't have a full script, but you might also contact Tom Simonson for
a full script which employs a generalized Born implicit solvent model.

best regards--
Charles
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