Displaying rotation axes is always a bit tricky..
If you have a proper rotation and the pair of molecules are sensibly
related - eg a dimer/trimer etc you could draw a line from the midpoint
between them in the direction given by the direction cosines.
eg if the centro of mas is Xm, ym, zm
Then a line from xm,ym,zm to xm +n*DC1, Ym+n*dc2, Zm+n*DC3 will be along
the rotation axis.
But if there is no real relationship between the molecules that would be
uninformative.
Eleanor
The easiest way to investigate whether you do have a perfect rotation is
to use the server developed at the EBI by Eugen Krissenel
http://www.ebi.ac.uk/msd-srv/prot_int/pistart.html
venkataraman kabaleeswaran wrote:
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Hi everyone
I have used lsqkab and lsqman to superimpose related
molecules.
I would like to display the axis of rotation from the
rotation matrix
that was used by lsqman to superpose the two subunits.
I am also interested in calculating vectors for the
different rotation axes and their corresponding
rotation angles.
How can this be done? Any help would be greatly
appreciated.
Thanks
vk
Kabaleeswaran Venkataraman
Arise, Awake and stop not until goal is Reached
- Swami Vivekanand
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