If you superimposed the two domains, e.g. with O, coot, lsqkab, or
moleman2, I am sure all of these programs will print the rotation
matrix, and maybe even the angle you are looking for. If they don't, you
can use e.g. the program octave to calculate the eigenvalues, which are
always 1, cos(theta) +/- i*sin(theta). E.g.
------------------->
octave:2> A = [ 1 0 0; 0 cos(30) -sin(30) ; 0 sin(30) cos(30)]
A =
1.00000 0.00000 0.00000
0.00000 0.15425 0.98803
0.00000 -0.98803 0.15425
octave:3> eig(A)
ans =
0.15425 + 0.98803i
0.15425 - 0.98803i
1.00000 + 0.00000i
<--------------------------------
Source of knowledge:
http://www.ecse.rpi.edu/Homepages/wrf/Research/Short_Notes/rotation.html#find
Tim
--
Tim Gruene
Institut fuer anorganische Chemie
Tammannstr. 4
D-37077 Goettingen
GPG Key ID = A46BEE1A
On Wed, 21 Nov 2007, NTHU wrote:
Dear all :
Anybodies know about how to calculate the rotational angle about domains
movement in CCP4i program? Or other programs can calculate that?
Many thanks
jaishin
