Hello cooters.
I am trying to compare multiple structures of similar proteins,
in different crystal forms, and to transform the maps in a script using
"transform-map-using-lsq-matrix" command. But I am stuck with few
problems.
This part of the script is essentially as follows:
(no-coot-tips)
(set-run-state-file-status 0)
(read-pdb "new.pdb")
(read-pdb "reference.pdb" )
(auto-read-make-and-draw-maps "test.mtz")
(transform-map-using-lsq-matrix 1 "A" 1 200 0 "A" 1 200 2 (molecule-centre 1)
10)
All seems to go fine, except that the map matches correctly only part of
the transformed molecule, and it looks like when the map is extended by
symmetry, things fail. See http://www-cryst.bioc.cam.ac.uk/node/199
I am sure there is trivial solution to this, but I can't think of it now.
Also, I can't seem to find the command how to read a (ccp4) map into coot
using a script. All I can see is how to read it from the menu, but not the
scripting command. Ideally I'd read in just a small map carved around the
area of interest (and then saved).
And if someone has a working example on how to do this with ccp4, I'd be
interested to hear.
thanks, Marko
_____________________________________
Marko Hyvonen
Department of Biochemistry, University of Cambridge
http://www-cryst.bioc.cam.ac.uk/groups/hyvonen
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