S. Thiyagarajan wrote:
> Dear CCP4 users
>
> Is there any easy way of calculating the peak height / number of
> electrons at a given position, say a mouse click point in coot.
>
> Is there any formula to calculate the number of electrons based on sigma
> level and peak height, as given in difference map peaks in coot.
>
> I have some peaks in my map which take water or sodium/magnesium or
> chlorine atom with out giving out any positive or negative density upon
> further refinement.
>
First, go to the coot wiki and pick up the scheme key bindings.
If you want density information at a given cursor point:
Point at the blob, press the 'g' key
(which recentres on the biggest density under the cursor)
using the Scheme scripting window:
(apply density-at-point (imol-refinement-map) (rotation-centre))
There is no user access to the peak integration code of coot as yet.
Paul.
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