Dear Dr. Schwieters, I am calculating solution peptide structure using noes, dihedral angles and H-bonds as restraints. I have used anneal_nordc.py script to calculate initial structures which turned out to be very good (0.57A average backbone RMSD of 10best structures out of 20).
But to reach resolution 0.26A published in the paper for these constraints I am using, I need to carefully refine the best of calculated structures multiple times. Could you, please, give me a refinement script for solution nmr without rdc, but with noes, dihedral angles, H-bonds and dipolar couplings, if possible? Thank you -- Best regards, Anna Kuznetsova -------------- next part -------------- An HTML attachment was scrubbed... URL: http://dcb.cit.nih.gov/pipermail/xplor-nih/attachments/20110608/6bcf1999/attachment.html
