Hello,Thank you for the explanation. I understood that there might be an issue not with the docking itself but more probably between the individual domains and their respective RDC's from the full protein RDC experiment. As I wrote earlier, I am currently trying to refine individual domains including RDC from the full protein experiment. I have been using the standard refining script that you provide in the eigeninput directory, and yet R-inf look quite high (~ 20 ) if I keep Da and R fix, but it becomes much better if I allow those values to change (Da changes from 5.5 to ~12 (or -12)). I was wondering if, in that case, it does make sens or not to allow Da and R to vary ? If not, there is a real issue (whatever it is) with my RDC dataset or at least with the way I handle them. I have recompared HSQC spectra from individual and linked domains (I have been working only lately on the project), but the changes are not important. So, I would have thought that RDC values would have maybe only slightly modify orientations of secondary structures. All of this is really intriguing.
Thanks again, Best regards, Olivier Serve, PhD Postdoc Okazaki Institute for Integrative Bioscience National Institutes of Natural Sciences 5-1 Higashiyama, Myodaiji, Okazaki 444-8787 Japan [email protected]
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