Jonathan, this is called the quaternion difference, but I don't know how
you get access to quaternions in PyMOL. If you could, you would just take
the difference between the two quaternion representations of the views and
get it's angle for the corresponding axis-angle.
Jason, are there standard Python utilities that one can use to get the
quaternion equivalents of PyMOL matrices?
Bob
On Mon, Nov 25, 2013 at 9:14 AM, Jonathan Grimes
<jonat...@strubi.ox.ac.uk>wrote:
>
> is there a script available to calculate the min rotation about a vector
> that describes the relationship between 2 views……
>
> i am happy to ignore any translational component but i have 2 views
> of a molecule and want to say that theres a *** deg rotation between the
> 2 views ?
>
> thanks
> jon
>
>
> Dr. Jonathan M. Grimes,
> NDM Senior Reseach Fellow
> University Research Lecturer
> DIAMOND Research Fellow
>
> Division of Structural Biology
> Wellcome Trust Centre for Human Genetics
> University of Oxford
> Roosevelt Drive,
> Oxford OX3 7BN, UK
>
> Email: jonat...@strubi.ox.ac.uk, Web: www.strubi.ox.ac.uk
> Tel: (+44) - 1865 - 287561, FAX: (+44) - 1865 - 287547
>
>
>
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--
Robert M. Hanson
Larson-Anderson Professor of Chemistry
St. Olaf College
Northfield, MN
http://www.stolaf.edu/people/hansonr
If nature does not answer first what we want,
it is better to take what answer we get.
-- Josiah Willard Gibbs, Lecture XXX, Monday, February 5, 1900
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