[cctbxbb] Bug in structure.expand_to_p1?

Nat Echols nathaniel.echols at gmail.com
Mon Jun 20 10:16:16 PDT 2011

2011/6/20 Jan Marten Simons <marten at xtal.rwth-aachen.de>

> 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.

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