[cctbxbb] strange silicon

Ralf W. Grosse-Kunstleve rwgk at yahoo.com
Mon Oct 17 16:38:50 PDT 2005


Hi Marc,

Please try

       space_group_symbol="Fd3m:1")),

to specify "origin choice 1" (see Int. Tab. Volume A).
Does this lead to what you expect?

See also:
http://cctbx.sourceforge.net/current_cvs/c_plus_plus/classcctbx_1_1sgtbx_1_1space__group__symbols.html

Look for the "Detailed Description" section.

Cheers,
        Ralf



		
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