Re: [ccp4bb] Angle between monomer of a dimer

[Paul Emsley]

On 23/08/12 20:08, Nikolina Sekulic wrote:

Dear Appu,

I had similar issue once. You can use Coot to overlay two structures and get the rotation matrix

a1 a2 a3
b1 b2 b3
c1 c2 c3

from here you can calculate cosine of an angle using formula

(a1+b2+c3-1)/2

You can if you like, but Coot does it for you also:

In the terminal output you find something like:

INFO:: Rotation in CCP4 Polar Angles: Polar = (133.961,-95.5736,9.28192)

The rotation around the axis is the last number of the triple.

Paul.