Hi Charles, I don't have any restraints yet for this protein, I was just making some initial models etc prior to actual data collection. If noone else has files for NAG then I'll just make my own based on the crystallography files I found. I'll let you know what happens.
Regards John Vakonakis In message <[EMAIL PROTECTED]> [EMAIL PROTECTED] writes: > -----BEGIN PGP SIGNED MESSAGE----- > Hash: SHA1 > > > 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----- > _______________________________________________ Xplor-nih mailing list [email protected] http://dcb.cit.nih.gov/mailman/listinfo/xplor-nih
