On 09/01/2019 04:27, Yong Tang wrote:
Happy New Year to all,
Happy New CCP4 Study Weekend.
I'm solving many structures of the same protein and would like to find a quick way to inspect like 10
selected residues of the 250aa protein in coot, for every structure against the matched electron density maps.
What is the easiest way to do that? Could we write a python script that defines these residues on a
reference structure that will create a pop-out window like what Coot generates when we ask for a "Difference
Map Peaks", which will allow me to hop to my residue of choice back and forth?
I think that the attached is what you want. Let me know if it isn't.
Adjust my-interesting-list as needed of course.
Paul.
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(define my-interesting-list
(list
(list "A" 2 "")
(list "A" 12 "")
(list "A" 22 "")))
(let ((buttons (map (lambda(res-spec)
(let ((label (residue-spec->string res-spec))
(fn (lambda ()
(using-active-atom
(set-go-to-atom-molecule aa-imol)
(set-go-to-atom-from-res-spec res-spec)))))
(list label fn)))
my-interesting-list)))
(dialog-box-of-buttons "Interesting" (cons 300 300) buttons " Close "))
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