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Coot: Difference between revisions
→Assorted questions and answers (from the mailinglist): add another one
Bernhardcl (talk | contribs) |
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[1] which may not work in 0.6-pre (grumble/sigh/sorry). If it doesn't not work, | [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. | 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). | It should be noted that the answers ("A") are from Paul Emsley himself (and were maybe slightly edited). | ||