Are you using current ChimeraX version 1.7.1? Here are commands for a case I tried and the outline boxes aligned exactly
open 1080 fromDatabase emdb
volume showOutlineBox true
volume originIndex 5,10,20
volume flip #1
I also tried examples of maps with odd number of grid points and non-integral origin index and it all worked for me. Could you provide a set of commands and map (maybe from EMDB, or your own small example map) and use ChimeraX menu Help / Report a Bug... to submit a bug report and I can see what is special about your case where the flipped volume box does not match the original volume box.
Tom
On Apr 18, 2024, at 1:09 AM, Luca Pellegrini <lp212@cam.ac.uk> wrote:
Hi Tom,
Thank you for the explanation. After flipping the map my outline boxes don’t align (see attached for original and flipped).
Best wishes,
Luca
<outlineBox.png>
Hi Luca,
When ChimeraX flips a map it keeps the same origin grid index. That means the box containing the flipped volume aligns exactly with the box of the original volume. You can check this by showing the outline boxes of both volumes
volume showoutline true
Maybe what you mean is you have a symmetric structure that you think is centered at the middle of the map box, so you expect that flipping it will keep the center in the same place, but instead you see it move. That would be because your structure isn't actually
centered in the middle of the map box. One reason for that can be that the map has an even number of grid points, e.g. 256 and so no grid point lies at the center of the box -- the geometric center is half way between two grid points, and some reconstruction
software likes to put the center at a grid point, off-center.
Tom
On Apr 17, 2024, at 3:50 AM, Luca Pellegrini via ChimeraX-users <chimerax-users@cgl.ucsf.edu> wrote:
Hi,
if I flip a map with ‘volume flip #ID', save the flipped map and then open it, the saved copy is noticeably shifted by a small amount relative to the original flipped map. This doesn’t happen if I save and reopen the map without flipping. Can you please explain
what causes this and if it can be avoided?
Thanks,
Luca
Luca Pellegrini, PhD
Department of Biochemistry
University of Cambridge
Cambridge CB2 1GA
UK
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