On Thu, Apr 19, 2012 at 4:28 PM, wtempel <wtem...@gmail.com> wrote: > I went ahead and explicitly applied that +0.5*a translation. [...] It turns > out that after the origin > shift, some distances between equivalent atoms of the two structures > exceeded 3A
I'd be interested to know if cphasematch would reach the exact same solution - i.e. how did you know to shift along a? > A (sic) failed to do any better than having them offset by approx. 32A > exactly along the a-xis. isn't this the same thing that was done above? -Bryan
