[phenixbb] A request

Pavel Afonine PAfonine at lbl.gov
Mon Sep 14 10:22:05 PDT 2009


Hi Jon,

phenix.refine has NCS restraints, which you can make as strong as you 
like by playing with corresponding weights.

phenix.refine does not have NCS constraints, which is:
- I realize extremely important for refinement of virus structures.
- not the same as "very strict" NCS restrains (although I believe it may 
be very close).

Implementing NCS constraints it's *not *in my to-do list.. May be Ralf 
can comment some more. We probably need to discuss this internally to 
decide who and when will do it.

Pavel.


On 9/14/09 7:03 AM, Jonathan Grimes wrote:
>   Are there plans to implement STRICT NCS refinement in Phenix ??
>   For virus structures I am stuck with using CNS.
>
>    Thanks
>    Jon
>
>
>   
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