But equation given in slide #4 is exactly least-square equation with
some modified maps. Just use Pareval's theorem, then for case of 2mFo-
Dfc you will have
sum_{reflection used) (2mFo-DF_{c current) -k F_{model})^2
F_model is equal to F_{c current} at the point of calculation. All
gradients can be calculated analytically.
That is an interesting observation.
regard
Garib
On 25 Aug 2010, at 23:33, Pavel Afonine wrote:
Ethan,
I still don't understand. Real space refinement will minimize a fit
of model to density in whatever map you give it. It's up to you
which coefficients are used to calculate the map you are refining
against.
This is true.
However, I guess, the way it is implemented in Coot is a bit
different (Paul, please correct me if I'm wrong).
Compare slides #4 and #5:
http://cci.lbl.gov/~afonine/rsr.pdf
Pavel.
