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Coot

830 bytes added, 10:37, 23 April 2009
Assorted questions and answers (from the mailinglist): add another one
[1] which may not work in 0.6-pre (grumble/sigh/sorry). If it doesn't not work,
the "Reverse" button should invert the moving and "base" part of the residue.
 
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Q: 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. 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?
 
A: 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.
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It should be noted that the answers ("A") are from Paul Emsley himself (and were maybe slightly edited).
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