[cctbxbb] Find nearest orthonormal matrix

[Oleg Dolomanov]

Hi Rob,

not sure what is the application you are looking for, but take a look at scitbx/math/superimpose.py

Cheers,
Oleg.
________________________________
From: cctbxbb-bounces at phenix-online.org <cctbxbb-bounces at phenix-online.org> on behalf of Robert Oeffner <rdo20 at cam.ac.uk>
Sent: 25 January 2021 22:51
To: cctbx mailing list <cctbxbb at phenix-online.org>
Subject: [cctbxbb] Find nearest orthonormal matrix

Does the CCTBX has a routine for that? I didn't find anything in the
scitbx module. But I came across a procedure online here:

http://people.csail.mit.edu/bkph/articles/Nearest_Orthonormal_Matrix.pdf

If not already in the CCTBX I plan to include a pythonic version of it
within the next few days.

Rob


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Robert Oeffner, Ph.D.
Research Associate, The Read Group
Department of Haematology,
Cambridge Institute for Medical Research
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www.cimr.cam.ac.uk/investigators/read/index.html<http://www.cimr.cam.ac.uk/investigators/read/index.html>
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