Oh- let me try!!
Given two structures each containing the domains A and B,
the angle in question is the further angle through which
domain B of the second structure must be rotated to
superimpose it on domain B of the first structure,
after structure 2 has already been rotated to optimally
superpose domains A.
presumably it matters not if you switch A and B or 1 and 2.
It's the rotation of one domain relative to the other
on going from one structure to the other. Of course a
lot of information is being thrown out like the rotation
axis and any translational component. I understand DynDom
will make a nice graphic with the rotation axis drawn in.
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
