<div dir="ltr"><div class="gmail_extra"><div class="gmail_quote">On 13 November 2014 14:07, Robert Campbell <span dir="ltr"><<a href="mailto:robert.campbell@queensu.ca" target="_blank">robert.campbell@queensu.ca</a>></span> wrote:<br><blockquote class="gmail_quote" style="margin:0px 0px 0px 0.8ex;border-left-width:1px;border-left-color:rgb(204,204,204);border-left-style:solid;padding-left:1ex"><span><br>
</span>While it doesn't matter in this case because there is no translation in the<br>
BIOMT records of 1HRI, a more complete answer would be:<br>
<br>
coord = np.array([35.887, 31.402, 96.395])<br>
rotmat = np.array([[ 0.5, -0.809017, 0.309017, 0.0],<br>
[ 0.809017, 0.30917, -0.5, 0.0<br>
[ 0.309017, 0.5, 0.809017, 0.0]])<br>
<br>
rotated_coord = np.dot(rotmat[0:3,0:3],coord) + rotmat[:3,3]<br>
<br>
Cheers,<br>
Rob<br>
<span><br></span></blockquote><div> </div><div>D'oh, yup, what Rob said :)<div><br></div><div>Not sure about Bhushan's second question (deducing n-fold symmetry). Naively you can look at the spacegroup, but there's clearly more going on here - time to find a friendly crystallographer :) (hopefully one is reading...?)</div><div><br></div><div>Fred<br></div></div></div></div></div>