[Xplor-nih] A script for solvent modelling

David Langelaan DLANGELA at DAL.CA
Thu May 15 11:31:48 EDT 2008


Hello,

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?

Thank you for your help,

David Langelaan



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