Thank you Paul for the explanation/clarification.
Indeed, it would be enough for me at the moment if I could align maps
according to the fit I get in ChimeraX.
The "transform_map() function" sounds exactely like what I was looking
for! Could you perhaps elaborate if I filled in the parameters correctly
(see below)?
ChimeraX output:
Fit map job122_class1 in map job145_class1+3 using 378391 points
correlation = 0.9626, correlation about mean = 0.8182, overlap = 1.076e+04
steps = 40, shift = 0.009, angle = 0.00377 degrees
Position of job122_class1 (#1) relative to job145_class1+3 (#4) coordinates:
Matrix rotation and translation
0.99993251 -0.00473394 -0.01060925 2.07918736
0.00471099 0.99998651 -0.00218664 -0.57281865
0.01061946 0.00213651 0.99994133 -1.65452589
Axis 0.18292243 -0.89823687 0.39963723
Axis point 165.64873479 0.00000000 190.89655799
Rotation angle (degrees) 0.67707290
Shift along axis 0.23364667
Coot command:
Based on |(transform-map /imol/ /rotation-matrix/ /trans/ /point
radius/)| from the user manual:
(transform-map 1 (list 0.99993251 -0.00473394 -0.01060925 0.00471099
0.99998651 -0.00218664 0.01061946 0.00213651 0.99994133) (list
2.07918736 -0.57281865 -1.65452589) (list 181.1739959716797
205.94700622558594 198.18699645996094) 10)
The value for "point" I took from running |(rotation-centre)| in Coot,
is that correct? The resulting map fragment seems to be aligned quite
well to the resampled map.|
|
I set the radius to 10 for testing purposes, is there a way to use the
full map by default?
Best,
Helge
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