Dear all,

Continuing from this topic over at the ChimeraX user list: http://plato.cgl.ucsf.edu/pipermail/chimerax-users/2022-January/003177.html

I would like to ask if it is possible currently (or to introduce) the ability in Coot to rotate and translate a cryo-EM map according to the output of the ChimeraX "fitmap" command.

This would be very useful in comparing the map quality of volumes e. g. from the same classification. Resampling the volumes in ChimeraX changes the map and is therefore not a good option when one wants to compare subtle differences in the densities.

I believe the information provided by "fitmap" adheres to the ChimeraX Positions Format described here: https://rbvi.ucsf.edu/chimerax/docs/user/formats/positions.html

The output from "fitmap" to the log appears a bit different though, so I am not sure which one would be useable in the end:

Example:

tool show 'Fit in Map'Fit map run_class001.mrc in map run_class001.mrc using 159932 points
correlation = 0.9589, correlation about mean = 0.5393, overlap = 82.65
steps = 48, shift = 2.47, angle = 0.571 degrees

Position of run_class001.mrc (#1) relative to run_class001.mrc (#2) coordinates:
Matrix rotation and translation
0.99995193 -0.00918946 0.00341831 2.19650599
0.00918323 0.99995615 0.00183397 -4.59169731
-0.00343502 -0.00180249 0.99999248 1.52902230
Axis -0.18233729 0.34363524 0.92123175
Axis point 479.76292846 225.20927991 0.00000000
Rotation angle (degrees) 0.57135182
Shift along axis -0.56979010


Many thanks for reading,

Helge

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