[phenixbb] question about constrain ncs
Pavel Afonine
PAfonine at lbl.gov
Thu Oct 1 20:37:20 PDT 2009
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.
On 10/1/09 8:33 PM, crystallogrphy wrote:
> Hi,
> I am refining a 3.6A data set. There are 5 monomers per asymetric
> unit. I am considering to use constrained NCS to increase the ratio of
> reflection/parameter. Does phenix.refine has a script to put
> contrained ncs or I just use simple_ncs_from_pdb to determine the best
> NCS?
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