Re: [ccp4bb] calculated the rotational angle of domains in CCP4 program?

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CCP4bb <-- 1999 <-- November 1999 <-- 30 November 1999

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Subject: calculated the rotational angle of domains in CCP4 program?
From: NTHU d888223 {- at -} OZ {- dot -} NTHU {- dot -} EDU {- dot -} TW
Date: 2007-11-21

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Subject: 6.0.2 installation problem
From: "David J {- dot -} Schuller" djs63 {- at -} CORNELL {- dot -} EDU
Date: 2007-11-21

Subject: Re: calculated the rotational angle of domains in CCP4 program?
From: Tim Gruene tg {- at -} SHELX {- dot -} UNI-AC {- dot -} GWDG {- dot -} DE
Date: 2007-11-21

If you superimposed the two domains, e.g. with O, coot, lsqkab, or
moleman2, I am sure all of these programs will print the rotation
matrix, and maybe even the angle you are looking for. If they don't, you
can use e.g. the program octave to calculate the eigenvalues, which are
always 1, cos(theta) +/- i*sin(theta). E.g.
------------------->
octave:2> A = [ 1 0 0; 0 cos(30) -sin(30) ; 0 sin(30) cos(30)]
A =

1.00000 0.00000 0.00000
0.00000 0.15425 0.98803
0.00000 -0.98803 0.15425

octave:3> eig(A)
ans =

0.15425 + 0.98803i
0.15425 - 0.98803i
1.00000 + 0.00000i
<--------------------------------

Source of knowledge:
http://www.ecse.rpi.edu/Homepages/wrf/Research/Short_Notes/rotation.html#find

Tim

--
Tim Gruene
Institut fuer anorganische Chemie
Tammannstr. 4
D-37077 Goettingen

GPG Key ID = A46BEE1A

On Wed, 21 Nov 2007, NTHU wrote:

> Dear all :
>
> Anybodies know about how to calculate the rotational angle about domains movement in CCP4i program? Or other programs can calculate that?
>
> Many thanks
>
> jaishin

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CCP4bb <-- 1999 <-- November 1999 <-- 30 November 1999

Previous message:
Subject: calculated the rotational angle of domains in CCP4 program?
From: NTHU d888223 {- at -} OZ {- dot -} NTHU {- dot -} EDU {- dot -} TW
Date: 2007-11-21

Next message:
Subject: 6.0.2 installation problem
From: "David J {- dot -} Schuller" djs63 {- at -} CORNELL {- dot -} EDU
Date: 2007-11-21