[phenixbb] DEN refinement

Jeff Headd jjheadd at lbl.gov
Thu Dec 5 12:09:56 PST 2013


Hi Scott,

Yes, NCS restraints will work when running DEN refinement. Note, however,
that this is an added restraint on top of the DEN restraints themselves,
and does not apply directly to the DEN restraints, meaning that the DEN
network is not chosen with NCS in mind, and the deformation of these
restraints does not take NCS into account.

Jeff


On Thu, Dec 5, 2013 at 10:20 AM, Scott Thomas Walsh <swalsh12 at umd.edu>wrote:

>  Dear Phenix Users,
>
>  Is it possible to use NCS restraints in DEN refinement like we can do in
> regular
> phenix.refine refinement?
>
>  Thank you for your help.
>
>  Cheers,
>
>  Scott
>
> ************************************************
> Scott T. R. Walsh, PhD
> Assistant Professor
> University of Maryland
> IBBR/CBMG
> 3127E CARB-2
> 9600 Gudelsky Drive
> Rockville, MD  20850  USA
> phone: (240) 314-6478
> fax: (240) 314-6225
> email: swalsh12 at umd.edu
>
>
>
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>
>
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