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.
