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:
conversion from h3 to r3 with phenix apps

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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