2011/6/20 Jan Marten Simons <span dir="ltr">&lt;<a href="mailto:marten@xtal.rwth-aachen.de">marten@xtal.rwth-aachen.de</a>&gt;</span><div class="gmail_quote"><blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex;">

It bothers me that there are x,y,z not in [0, 1[. Shouldn&#39;t the newly expanded<br>
cell only contain atoms within the unit cell?</blockquote><div><br></div><div>I can&#39;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.</div>
<div><br></div><div>-Nat</div></div>