goddard at sonic.net
Mon Sep 26 10:36:32 PDT 2011
You can use an inversion or inversion combined with a rotation in
Chimera and at least some things work correctly. I tried the matrixset
command to apply an inversion and the inverted molecule displayed and
rotated correctly, and then I created a surface for the inverted
molecule which worked. When I then tried to align the inverted molecule
to a copy of the original uninverted molecule, it inverted it back to
give perfect alignment (didn't just do the best pure rotation).
As far as I know, no thought has gone into making sure Chimera works
with inverted spatial transformations, so some operations with inverted
models may misbehave and you'll have to test and see.
Dougherty, Matthew T wrote:
> I was doing something with crystallographic point group matrices.
> Does Chimera allow for improper rotations and inversions?
> Or does it rectify them as proper rotations?
> I would like to go from
> Model 0.0
> 1 0 0 0
> 0 1 0 0
> 0 0 1 0
> Model 0.0
> -1 0 0 0
> 0 -1 0 0
> 0 0 -1 0
> Matthew Dougherty
> National Center for Macromolecular Imaging
> Baylor College of Medicine
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