<div dir="ltr"><div>Hi Rob,</div><div><br></div><div>Have a look at this as well:</div><div><br></div><a href="https://www.sciencedirect.com/science/article/pii/S1053811915002670">https://www.sciencedirect.com/science/article/pii/S1053811915002670</a><div><br></div><div><a href="https://gist.github.com/dokato/7a997b2a94a0ec6384a5fd0e91e45f8b">https://gist.github.com/dokato/7a997b2a94a0ec6384a5fd0e91e45f8b</a><br></div><div><br></div><div>HTH</div><div><br></div><div>Peter</div><div><br></div><div><br></div></div><br><div class="gmail_quote"><div dir="ltr" class="gmail_attr">On Mon, Jan 25, 2021 at 2:52 PM Robert Oeffner <<a href="mailto:rdo20@cam.ac.uk">rdo20@cam.ac.uk</a>> wrote:<br></div><blockquote class="gmail_quote" style="margin:0px 0px 0px 0.8ex;border-left:1px solid rgb(204,204,204);padding-left:1ex">Does the CCTBX has a routine for that? I didn't find anything in the <br>
scitbx module. But I came across a procedure online here:<br>
<br>
<a href="http://people.csail.mit.edu/bkph/articles/Nearest_Orthonormal_Matrix.pdf" rel="noreferrer" target="_blank">http://people.csail.mit.edu/bkph/articles/Nearest_Orthonormal_Matrix.pdf</a><br>
<br>
If not already in the CCTBX I plan to include a pythonic version of it <br>
within the next few days.<br>
<br>
Rob<br>
<br>
<br>
-- <br>
Robert Oeffner, Ph.D.<br>
Research Associate, The Read Group<br>
Department of Haematology,<br>
Cambridge Institute for Medical Research<br>
University of Cambridge<br>
Cambridge Biomedical Campus<br>
The Keith Peters Building<br>
Hills Road<br>
Cambridge CB2 0XY<br>
<a href="http://www.cimr.cam.ac.uk/investigators/read/index.html" rel="noreferrer" target="_blank">www.cimr.cam.ac.uk/investigators/read/index.html</a><br>
tel: +44(0)1223 763234<br>
<br>
<br>
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</blockquote></div><br clear="all"><div><br></div>-- <br><div dir="ltr" class="gmail_signature"><div dir="ltr"><div><div dir="ltr"><div><div dir="ltr"><div dir="ltr"><div dir="ltr"><div><font size="2">------------------------------------------------------------------------</font><br><font size="1">P.H. Zwart<br>Staff Scientist</font></div><div><font size="1">Molecular Biophysics and Integrated Bioimaging &</font></div><div><font size="1">Center for Advanced Mathematics for Energy Research Applications</font></div><div><font size="1">Lawrence Berkeley National Laboratories<br>1 Cyclotron Road, Berkeley, CA-94703, USA<br>Cell: 510 289 9246</font></div><div><font size="1"><br></font></div><div><font size="1">PHENIX: <a href="http://www.phenix-online.org/" style="color:rgb(17,85,204)" target="_blank">http://www.phenix-online.org</a><br></font></div><div><font size="1">CAMERA: <a href="http://camera.lbl.gov/" target="_blank">http://camera.lbl.gov/</a></font></div><div style="font-size:small">-------------------------------------------------------------------------<br></div></div></div></div></div></div></div></div></div>