Hi Jason,
Thanks a lot for this! I was able to code up a very simple solution to
my problem using Tsjerk's suggestion.
In my problem I have a series of very similar structures, and I wanted
to calculate the principal axes of a section of these structures and
then align the principal axes
Buz,
Tsjerk's answer is right on. This has already been implemented for PyMOL as a
plugin. See Kabsch/optAlign from "cealign," here:
http://www.pymolwiki.org/index.php/Kabsch
The code is open-source and so can be applied elsewhere.
Another simple method is to simply calculate the SVD of t
