Opened 3 years ago
Closed 3 years ago
#8829 closed defect (fixed)
"measure center" and "measure inertia" not using transformed position of map
Reported by: | Elaine Meng | Owned by: | Tom Goddard |
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Priority: | major | Milestone: | |
Component: | Volume Data | Version: | |
Keywords: | Cc: | kcf26@… | |
Blocked By: | Blocking: | ||
Notify when closed: | Platform: | all | |
Project: | ChimeraX |
Description
The centroid marker and inertia ellipsoid show up in the original position of the map, not its transformed position. However, I did not have this problem with transformed atomic coordinates. Tested in UCSF ChimeraX version: 1.7.dev202304130132 (2023-04-13)
Reported by Kevin, email address in the Cc list of this ticket.
On Apr 13, 2023, at 8:48 AM, Kevin Felt via ChimeraX-users <chimerax-users@…> wrote:
Dear developers,
I am trying to compare the center of mass of multiple cryo-EM maps and models. The receptor is the same in all cases, just the ligand bound in the binding pocket varies. I want to show a directionality to how the ligands are binding in the pocket between the structures, so I have aligned the maps and models together and am attempting to run "measure center" and "measure inertia" to initiate this comparison. However, when I run these commands, the output markers and ellipsoids are not positioned in an aligned fashion as their parent objects, but rather in there initial positions before alignment, which is not useful for comparisons of the subtle movements between structures.
[...]
Fixed in 1.6.
The measure center and measure inertia commands were not using the correct coordinate system for placing markers and the ellipsoid for maps when the map had non-identity position. The measure inertia command also had problems (not reported in this ticket) if the measured model had a model higher in the hierarchy with non-identity position. Also measure center was reporting the center position for maps in map coordinates instead of scene coordinates contrary to the documentation. I fixed all these problems.