Hi Rob,

Have a look at this as well:

https://www.sciencedirect.com/science/article/pii/S1053811915002670

https://gist.github.com/dokato/7a997b2a94a0ec6384a5fd0e91e45f8b

HTH

Peter



On Mon, Jan 25, 2021 at 2:52 PM Robert Oeffner <rdo20@cam.ac.uk> wrote:
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,
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