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.
>
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