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Just a remark/precaution: if you remove ANISOU records then you will basically invalidate the refinement results (the refined model). Make sure you recompute the R-factors after removing ANISOU and be prepared to see (much) higher values.

Pavel.


On 6/30/10 11:09 AM, Nat Echols wrote:
[log in to unmask]" type="cite">On Wed, Jun 30, 2010 at 10:59 AM, Pavel Afonine <[log in to unmask]> wrote:
I am refining a structure at 2.25 A using Phenix.refine. I am using TLS parameters for refinement but as i use TLS, phenix does individual anisotropic refinemnt also.
No, it doesn't: it does not do "individual anisotropic refinement" unless you specifically asked for this.

It does, however, print out individual ANISOU records at the end of refinement - but these are extracted from the TLS groups, not refined individually.  If you absolutely must get rid of them, "grep -v ANISOU refined_file.pdb > new_file.pdb" will do the trick, but personally, I always like to look at the ellipsoids in PyMOL or Coot anyway, to see what the TLS groups are doing.

-Nat