James Stroud wrote:
>... What is the
> operation to reindex such that real space is rotated 180 about z? These
> are in P212121.
Isn't that the 21 along z in your orthorhomic space group? Just apply it
to your MR solution instead, and add an affine normaliser if needed to
superpose the solutions. 'emma' in cctbx may help.
Jon
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