I believe $CCP4/bin/superpose does the same Eugene
On 24 Aug 2012, at 11:44, Paul Emsley wrote: > 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. > -- Scanned by iCritical.
