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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 -----BEGIN PGP SIGNATURE----- Version: GnuPG v1.4.6 (GNU/Linux) Comment: Processed by Mailcrypt 3.5.8+ <http://mailcrypt.sourceforge.net/> iD8DBQFILfqFPK2zrJwS/lYRAjSuAJ4kE+Dgu1Ffkm4jyaX7NAf3bKY95QCeMxhy MEhtyl9IGI1zOEZgrmThViE= =K91X -----END PGP SIGNATURE-----
