Scott,
I do this all the time too using key bindings. The way I have it set up, a
lower case "s" chops back the side chain of the residue you are centred on and
upper case "S" puts it back:
(add-key-binding "Delete Sidechain" "s"
(lambda ()
(using-active-atom
(delete-residue-sidechain aa-imol aa-chain-id aa-res-no aa-ins-code
0))))
(add-key-binding "Fill Partial Sidechain" "S" (lambda ()
(let ((active-atom (active-residue)))
(if (not active-atom)
(format #t "No active atom~%")
(let ((imol (list-ref active-atom 0))
(chain-id (list-ref active-atom 1))
(res-no (list-ref active-atom 2))
(ins-code (list-ref active-atom 3))
(atom-name (list-ref active-atom 4))
(alt-conf (list-ref active-atom 5)))
(fill-partial-residue imol chain-id res-no
ins-code))))))
Enjoy!
Dave
-------------------------------
Dr. David M. Lawson
Biological Chemistry Dept.,
John Innes Centre,
Norwich,
NR4 7UH, UK.
Tel: +44-(0)1603-450725
Fax: +44-(0)1603-450018
NOTE NEW EMAIL ADDRESS:
Email: [email protected]
Web: http://www.jic.bbsrc.ac.uk/staff/david-lawson/index.htm
-----Original Message-----
From: Scott Classen [mailto:[email protected]]
Sent: 22 January 2014 23:12
To: [email protected]
Subject: what python command to mutate with "stub" ?
Hello Cootaholics
I'd like to add a custom button (or key binding, or both) that will do a simple
mutate, keep the residue type the same, and trim it back to the beta carbon.
This would be the same as the "stub" function in the Simple Mutate dialogue
box. I am finding that I repeat this action often and would like to make it
quicker and easier. Can someone help me out with the proper python command?
Thanks,
Scott
