Hi Rob,
not sure what is the application you are looking for, but take a look at scitbx/math/superimpose.py
Cheers,
Oleg.
________________________________
From: [email protected] on behalf of Robert Oeffner
Sent: 25 January 2021 22:51
To: cctbx mailing list
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
--
Robert Oeffner, Ph.D.
Research Associate, The Read Group
Department of Haematology,
Cambridge Institute for Medical Research
University of Cambridge
Cambridge Biomedical Campus
The Keith Peters Building
Hills Road
Cambridge CB2 0XY
www.cimr.cam.ac.uk/investigators/read/index.htmlhttp://www.cimr.cam.ac.uk/investigators/read/index.html
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