Hi Todd, Are you sure this is not cubic? You could run xtriage and find out relatively easely. I suggest you give phenix.xmanip a try for reindexing or try to use the following one-liner: iotbx.reflection_file_converter data.sca --change-of-basis=to_niggli_cell --sca=niggli.sca Cheers Peter Green, Todd wrote:
Hello all,
I have what i believe to be a rhombohedral crystal that has an insanely large cell with the hexagonal setting:
533.026 533.026 652.887 90.000 90.000 120.000
and a modestly large cell comparatively with the rhombohedral setting:
377 377 377 90 90 90
I should be able to easily reindex to the smaller cell in scalepack but for some reason i'm not getting it to work correctly. Rather than struggle further on a friday afternoon, i figured that i'd give a phenix app a try. i assume xtriage can do this, can someone point me in the correct direction?
thanks in advance- Todd
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