Re: [Pytom-mail] Imposing D4 symmetry?

[Dustin M. <dus...@gm...>]

Hi Ricardo,

Did you have the symmetries wrapped in a multi-symmetry object? It should
look something like this:

<MultiSymmetries>
  <Symmetry NFold="4" SearchAngle="0" SearchAxisX="0.0"
SearchAxisZ2="0.0" Type="PointSymmetry" X="0.0" Z2="0.0"/>
  <Symmetry NFold="4" SearchAngle="0" SearchAxisX="0.0"
SearchAxisZ2="0.0" Type="PointSymmetry" X="180.0" Z2="90.0"/>
</MultiSymmetries>

Cheers,

Dustin


On Tue, 30 Mar 2021 at 14:06, Ricardo Righetto <ric...@gm...>
wrote:

> Hi,
>
> For imposing C4 symmetry in a real space alignment job, I use the
> following tag in the job XML file:
>
> <Symmetry NFold="4" SearchAngle="0" SearchAxisX="0.0" SearchAxisZ2="0.0"
> Type="PointSymmetry" X="0.0" Z2="0.0"/>
>
> But how would I go about imposing D4 symmetry? I tried adding another line
> to describe an additional 2-fold axis rotated by the 90 degrees, but it is
> ignored and only the C4 is imposed...
>
> Thanks!
>
> --
> Ricardo Diogo Righetto
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