[cctbxbb] map_to_asu - get the symop used to perform mapping

Graeme.Winter at diamond.ac.uk Graeme.Winter at diamond.ac.uk
Thu Jun 20 07:34:00 PDT 2013


Hi All,

In the progress of trying to (for reasons of my own) reproduce scale pack unmerged format files from flex arrays of Miller indices. map_to_asu is great, but it would be great to get the symop # used to perform the mapping as a result of this (it is computed somewhere in asu.h but not easily pushed out…)

Has anyone done this already? I mean the getting-of-symop-which-maps bit...

Thanks,

Graeme
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