20 Jun
2011
20 Jun
'11
10:16 a.m.
2011/6/20 Jan Marten Simons
It bothers me that there are x,y,z not in [0, 1[. Shouldn't the newly expanded cell only contain atoms within the unit cell?
I can't speak for Ralf, but FYI, this is exactly the opposite of what macromolecular crystallographers would expect - for us, the current behavior makes the most sense. -Nat