[cctbxbb] angle derivative of rotation matrix

David Waterman dgwaterman at gmail.com
Thu Jun 28 03:13:45 PDT 2012


Hi,

I'm using the axis_and_angle_as_r3_rotation_matrix method
of scitbx.matrix.col in some Python code. Now I need to calculate the first
derivative of the rotation matrix with respect to the rotation angle. Is
there a function to do that somewhere in scitbx (or elsewhere in cctbx)? I
had a brief look around but couldn't find anything that looked hopeful.

If there isn't something there already I have some Fortran code from David
Thomas that I could adapt to do this. Of course it wouldn't be very
efficient in pure Python, and calculating the matrix and its derivative
separately, but that's okay for now as the code is just for testing out
some ideas.

By the way, links to http://skal.planet-d.net/demo/matrixfaq.htm in the
documentation (e.g.
here<http://cctbx.sourceforge.net/current/c_plus_plus/namespacescitbx_1_1math_1_1r3__rotation.html#aaa200e3366d2e91e0ba9e01ecf99e99e>)
are broken. I found a document with the same name here:
http://vamos.sourceforge.net/matrixfaq.htm, but I have no idea if this has
the same content as the original.

Cheers

-- David
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