[phenixbb] Real space difference maps?

Pavel Afonine pafonine at lbl.gov
Tue Mar 15 09:47:11 PDT 2016

Hi Oliver,

why not.. I think we can compute map from model and then subtract it 
from the experimental input map (after scaling them somehow).

No I did not have that plan because it wasn't clear to me how such map 
can be helpful (especially since we don't do best possible job on B 
factor refinement).

I will add this option.


On 3/15/16 10:25, Oliver Clarke wrote:
> Hello,
> is there any possibility of (or current plan for) including the 
> capacity in a future PHENIX release to calculate a residual map 
> automatically after phenix.real_space refine, (i.e. simulating a map 
> from the model incorporating corrections for B-factor variation and 
> calculating a difference map with the experimental map)? This would be 
> very convenient when building into EM maps.
> Cheers,
> Oli

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