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Hello John-- > I've been trying to add NAG sugars to my NMR protein models using the > toph3.cho/param3.cho files distributed with xplor-nih. The problem is > that these files allow the sugar ring a lot of flexibility, certainly > more than seen in recent crystalographic models of glycosylated > proteins. In addition, they do not impose planarity to the N-acetyl > group of the sugar, and break the sidechain planarity of the linked > Asn residue. Are there any other topology/parameter files one could > use instead? I don't know if you've had a response from anyone else, but I am interested in fixing and collecting these parameters, so I'd like to know how you make out. I certainly can help you fix up the planarity issues. The flexibility issues could be handled a couple of ways. Do you have NMR restraints including these atoms? best regards-- Charles -----BEGIN PGP SIGNATURE----- Version: GnuPG v1.2.1 (GNU/Linux) Comment: Processed by Mailcrypt 3.5.8+ <http://mailcrypt.sourceforge.net/> iD8DBQFGQIJJPK2zrJwS/lYRArhoAJwKRfMMfwz5r1GVc/AwuglhqkSwCACfdIUO U+ymq7NziAM5IiuLqXT59P0= =gpDH -----END PGP SIGNATURE-----
