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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
