Hello Leonidas-- > > while I am trying to refine a crystal structure with RDCs using the > refine.py script, I came across a weird result. > > I had near perfect correlation between observed and calculated RDCs > values, which was fishy. After addition of 5Hz systematic noise to all > RDCs, i still had perfect correlation and nice convergence with no > violations(!). Initially i thought that there was something wrong with > my experimental setup (since i only used RDCs+dihedrals restrains), > but I had exactly the same result when I changed also the gb1 tutorial > RDCs values. > So to sum it up, I used the tutorial script (refine.py) and input > files for RDC refinement, regardless of how much I alter the RDCs > values (i tried up to +6Hz noise addition) I get always nice > convergence, perfect correlation obs/calc with no violations. > > Is this how it should be or do I miss/mess somthing? >
Not sure what's going on- we'll need more details. best regards-- Charles _______________________________________________ Xplor-nih mailing list [email protected] https://dcb.cit.nih.gov/mailman/listinfo/xplor-nih
