Dear Sir/Madam, I am working on the NMR structure determination of a small molecule which has a two-fold symmetry. I have tried running the small molecule structure determination script povided by Xplor, however it doesnt seem to work for my symmetrtic molecule. I obtain no overlays at all after my refinement steps. I would like to mention I did use NOE and dihedral angle constraints for EVERY part of the molecule (including both symmetrical parts).
I would be grateful if you could please help me in this matter. Regads, Misbah Ghafoor Manchester University U.K
