Pavel Afonine wrote:

Hi,

phenix.refine model.pdb data.mtz main.ncs=true

will do refinement with NCS restraints. The NCS groups will be determined automatically. It may be important to check the automatic choice.
See phenix.refine manual for details:
http://phenix-online.org/documentation/refinement.htm#anch24

Also, at this resolution you may consider using TLS and/or group ADP refinement.

phenix.refine does not have NCS constrains, which I believe you do not need at this resolution.

Pavel.

Hi Pavel,

   Got to disagree with you on this one. Depends on your obs to params. If youve
   got 90% solvent then perhaps.......I would always favour reducing my params by
   a factor of 5 at 3.6Angs.

Jon

PS Any plans for coding up NCS constraints !!!   ;-)

-- 
Dr. Jonathan M. Grimes,   
University Research Lecturer
Division of Structural Biology
Wellcome Trust Centre for Human Genetics
University of Oxford
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Oxford OX3 7BN, UK

Email: [email protected], Web: www.strubi.ox.ac.uk 
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