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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.
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.
It should be noted that the answers ("A") are from Paul Emsley himself (and were maybe slightly edited).