[Chimera-users] Rotation along symmetry axys

Tom Goddard goddard at sonic.net
Wed Jan 25 12:15:35 PST 2023


Hi Leonardo,

  As Elaine said, rotating the view in ChimeraX does not change what is saved in the map (*.mrc) file.  The data needs to be rearranged in the 3D array.  That can be done with the ChimeraX "volume resample" command (in Chimera it is called vop resample) but that interpolates the data on a new grid, and it would be better to just rotate the 3D data array so you don't get interpolation errors.  I made a ChimeraX command to do that "volume rotate_90" available on the ChimeraX Recipes web site.

	https://rbvi.github.io/chimerax-recipes/rotate_90/rotate_90.html

We no longer develop Chimera so I provide this for ChimeraX.

	Tom

> On Jan 25, 2023, at 6:14 AM, Leonardo Talachia Rosa via Chimera-users <chimera-users at cgl.ucsf.edu> wrote:
> 
> Dear Chimera team,
> I hope you are well.
> 
> I am processing a phage dataset which presents D5 pseudossymetry. The C5 axys is aligned to the z axys. I would like to rotate the map 90 degree in the z axys, so that Z axys now separate the molecule in a C2 pseudosymmetry, in order to play with some symmetry relaxation features to refine differences in the two map vortexes.
> Is there a way in chimera to rotate the map in relation to the xyz axys? The way I see, all rotate commands I know rotate the axys themselves alongside the map.
> 
> Thank you for your time,
> Kind wishes,
> Leonardo
> 
> -- 
> *************************
> Leonardo TALACHIA ROSA, PhD
> PostDoctoral Researcher
> Microbiology and Structural Biology
> Instituto de Química, Universidade de São Paulo - IQ-USP
> Av. Prof. Lineu Prestes, 748 - Butantã, São Paulo - SP
> **************************
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