Knee-jerk answer: The magnitude of the rotation component of the
transformation yielded from the optimal least squared superposition
of the two domains. Implicit is the ability to generate said least
squared superposition.
On Jul 7, 2007, at 8:21 PM, Bernhard Rupp wrote:
Not that I want to open a can of worms here...
but could someone explain what is meant
with 'angle between domains'?
Thx, br
-----Original Message-----
From: CCP4 bulletin board [mailto:[EMAIL PROTECTED] On Behalf
Of Das,
Debanu
Sent: Saturday, July 07, 2007 7:51 PM
To: CCP4BB@JISCMAIL.AC.UK
Subject: Re: [ccp4bb] how to convert matrix to angle
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: CCP4BB@JISCMAIL.AC.UK
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: [EMAIL PROTECTED] Tel +49 7531 88 4049 Fax 3183
Fachbereich Biologie, Universität Konstanz, Box M647, D-78457 Konstanz
