Thanks, I have tried this. This is great, but not completely what I need.
As I understand this command (moveto quaternion {<residue unmber}) sets the
residue as the center of rotation and moves it to the center of the window.
Unfortunately, residue can be shadowed by other residues of protein.
What I need is to bring the desired residue to the front. This residue
should not be new center of rotation.
OK, if there is no appropriate command I guess I can write script to rotate
molecule in desired way - to bring particular residue to the front of view.
For this I should calculate rotational angles that is needed.
So, my question is where is the zero points of rotational angles?
2011/6/7 Robert Hanson <[email protected]>
> Ah, sure. For this I would recommend using quaternion rotation. Basically
> each amino acid is assigned an xyz frame that is positioned in a way that
> depends upon the setting of the "quaternionFrame" -- C, P, or N. Then the
> moveto command has the keyword QUATERNION, which can be followed by a
> residue number:
>
> set quaternionFrame "C"
> moveto quaternion {5}
>
> This orients the molecule relative to that residue.
>
>
> On Mon, Jun 6, 2011 at 5:57 PM, M K <[email protected]> wrote:
>
>> Dear all,
>>
>> Form my web-page that incorporates Jmol applet I would like to issue
>> command to show particular residue of protein (to rotate molecule by the
>> appropriate angle) in response to the pressing the button by user.
>> Is there the appropriate command in Jmol?
>> If not, I guess I could write a script which rotate molecule by the
>> appropriate angel. But where is the zero angle of molecule? How is it
>> defined?
>>
>> Thanks,
>> seven32
>>
>>
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>
>
> --
> Robert M. Hanson
> Professor of Chemistry
> St. Olaf College
> 1520 St. Olaf Ave.
> Northfield, MN 55057
> http://www.stolaf.edu/people/hansonr
> phone: 507-786-3107
>
>
> If nature does not answer first what we want,
> it is better to take what answer we get.
>
> -- Josiah Willard Gibbs, Lecture XXX, Monday, February 5, 1900
>
>
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