Hi, I tried marvin of xplor-nih for my protein. It produce a good average structure after the third pass. However, when I use the generated xplor restraints by generic anneal protocol(anneal.inp), I can not get a correct structure. So two questions:
1. How to select the structures after the third pass? I found the structures with lowest energy do not get the correct structure but the average structure is good. 2. Are the final generated restraints(likelihood>0.9) sufficient to get the correct folded structure? or how to get it? Xplor-NIH version I used is 2.11.0 Thanks for any advises. Yingang Feng Beijing NMR Center Peking University
