Hi,
You can also use LSQKAB in CCP4 to get the angle between two similar domains.
-Debanu.
-----Original Message-----
From: CCP4 bulletin board on behalf of Kay Diederichs
Sent: Sat 7/7/2007 7:30 AM
To: [log in to unmask]
Subject: Re: [ccp4bb] how to convert matrix to angle
Jiamu Du schrieb:
> Dear all:
> I want to calculate the rotation angle between two similar domains. By
> using Coot, I can superposr the two domain and get the rotation matrix.
> But how to convert this matrix to an angle. Is there any program can
> calculate this ?
> Thanks.
>
Jiamu Du,
If you have the rotation matrix
a11 a12 a13
a21 a22 a23
a31 a32 a33
then
(a11 + a22 + a33 - 1) / 2
is the cosine of the angle you're looking for.
HTH,
Kay
--
Kay Diederichs http://strucbio.biologie.uni-konstanz.de
email: [log in to unmask] Tel +49 7531 88 4049 Fax 3183
Fachbereich Biologie, Universität Konstanz, Box M647, D-78457 Konstanz
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