[phenixbb] ncs restraint

Pavel Afonine PAfonine at lbl.gov
Mon May 25 16:31:32 PDT 2009

Hi Engin,

as always, thanks for your valuable feedback!

> My problem was that the automated NCS was including bits 
> that were clearly violators of NCS (This was with 1.3 final release).  

Yes, this is why we always suggest to check manually the automatic 
choice (which is, of course, has nothing to do with the automation -:) ).

> 1.  Does automated NCS picking only work based on the input pdb? 

Yes, this is what it does currently.

> Should 
> it not consider electron density maps as well for true automation (which 
> may not be easy to implement)? 

This is exactly what I have in mind for further improvement of automatic 
NCS determination.


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