17 Oct
2005
17 Oct
'05
4:38 p.m.
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_1... Look for the "Detailed Description" section. Cheers, Ralf __________________________________ Yahoo! Music Unlimited Access over 1 million songs. Try it free. http://music.yahoo.com/unlimited/