I got a bunch of structures from Xplor-NIH calculation, out of NMR distance restraints in a protein sample. Is there any standard criterion to select "good" or "acceptable" structures? Or put it in another word, what should be considered real high-resolution protein structures?
This is a very general and broad question. Apparently I should start with energy terms, e.g., VDW, bond, angle, etc. But then the question boils down to the boundary limit for each term, say, how much violation is acceptable in angle under consideration, 1 degree, 5 degree, or 50 degree? Or they are interacting with each other, reflecting each other in each term, if the energy is high in bond, most probably the angle energy is also high, things like that. I just want to know what I am actually doing, though I can push the button and run the calculation. Thanks a lot Xiaohu -------------- next part -------------- An HTML attachment was scrubbed... URL: http://dcb.cit.nih.gov/pipermail/xplor-nih/attachments/20070531/82980bcd/attachment.html
