I think Paul (Emsley) is better qualified to answer to this question.
However 1) coot uses 2mFo-DFc maps 2) you should be able to feed any
map you want to coot so it is nice place for experimenting this kind
of calculation 3) You may try to relax gemetry 4) Usually if the
model does not fit into electron density and programs do not want to
correct it then there may be some fundamental problem in this part of
the model a) multiple conformation b) out of register errors c)
pepflip or something like that.
If it is extremely necessary we can add such option in ccp4.
Regards
Garib
On 25 Aug 2010, at 23:13, Hailiang Zhang wrote:
Hi Garib:
Actually I tried coot real space refine zone, but the model seems not
sliding into the best density map (I also tried dragging it around,
but
still not working fine). Then I found some comments saying
minimizing the
difference between 2mFo-DFc and Fc may be better, thats why I am
asking
for this.
Best Regards, Hailiang
Why you do not use coot? It does exactly what you want.
regards
Garib
On 25 Aug 2010, at 22:33, Hailiang Zhang wrote:
Hi,
Can some utilities of CCP4 do the real-space refinement locally
with the
residue range explicitly specified?
By the way, I have registered phenix bb. Just didn't realize this
before,
sorry again.
Best Regards, Hailiang
