Hi, Our lab recently switched from XPLOR-NIH version 2.19 to version 2.33. It would seem that the former proton stereospecificity (HD** or HG**) in the NOE restraint files have changed to only accept HD(1 or 2)* or HG(1 or 2)*. My methyl protons aren't stereospecifically assigned and I was wondering how XPLOR is treating those proton and how we keep the ambiguity? Do we have to use the potential described in:
Kuszewski, J., Gronenborn, A.M. & Clore, G.M. (1996) A potential involving multiple proton chemical shift restraints for non-stereospecifically assigned methyl and methylene protons. J. Magn. Reson. Series B 112, 79-81 Thanks -- Marie-Laurence Tremblay, PhD candidate Department of Biochemistry and Molecular Biology Dalhousie University 5850 College St. Halifax NS, Canada B3H 1X5 mltremblay at dal.ca Phone:902-494-4812 -------------- next part -------------- An HTML attachment was scrubbed... URL: http://dcb.cit.nih.gov/pipermail/xplor-nih/attachments/20130318/89c5b4d7/attachment.html
