[phenixbb] ncs restraint
Ralf W. Grosse-Kunstleve
rwgk at cci.lbl.gov
Mon May 18 16:08:22 PDT 2009
> Also, don't forget to add ncs.find_automatically=false
> I have run many runs with NCS defined with proper syntax, just to be
> overwritten by NCS derived automatically by phenix, until I realized
> what was happening. I have always thought that if I define the NCS
> restraints, phenix should follow it, not try to "improve" upon it. What
> is the reason for this default behavior?
Thanks very much for the feedback.
I'm thinking setting up the NCS restraints really should be part
of the "ready-set" stage, done once, as an explicit step, strongly
suggesting review of the results before continuing.
With the new GUI tools Nat is working on, we will be in a better
position to re-organize the functionality in and around phenix.refine,
to reduce the potential for confusion in the future.
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