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Hi there, at that resolution I'd go for one of the SHELX flavours. Comes to suit all tastes. Jokes apart, I find that CNS is suitable for resolutions down to about 1.9 or 1.8 A, perhaps even 1.7 A; at higher resolutions you can do much better by switching refinement software, what comes to my mind is SHELX. And you can (provided you have enough observations) add things like anisotropic temperature factor refinement. To be checked with your data set, I am not advocating anisotropic B factore refinement if there are not sufficient reflections to warrant it. Fred. On Wed, 14 Jun 2006, Yuhe Liang wrote: > *** For details on how to be removed from this list visit the *** > *** CCP4 home page http://www.ccp4.ac.uk *** > > > Hi, > > Sorry for a none CCP4 question. > > I am refining a 1.4A resolution structre with CNS. > The model is now almost ok and the Rfree is around > 0.23. The problem now is the atom coordinates of > the model don't change when I do minimize job, only > a overall B-factor refinement was done. And the > minimize procedure terminated after 5 steps when > Rfactor didn't change. I tried to change the resolution > limit and wa setup, but it doesn't work. Simulated > annealing can change the coordinates, but after that, > minimizing can't refine more on the results. > > I also tried to use a not-well-refined model as the > input model, then the minimizing had effect!? > > Is there any suggestion? > > Thanks a lot! > > > > > ???????????? > Best regards, > > Yuhe Liang, PhD > Structural Biology Lab > College of Life Sciences > Peking University > Beijing, 100871 > P.R.China > Tel: 86-10-62755714 > Fax: 86-10-62765669 > > > > > -- s-mail: F.M.D. Vellieux (B.Sc., Ph.D.) Institut de Biologie Structurale J.-P. Ebel CEA CNRS UJF 41 rue Jules Horowitz 38027 Grenoble Cedex 01 France Tel: (+33) (0) 438789605 Fax: (+33) (0) 438785494 e-mail: [EMAIL PROTECTED]
