[Chimera-users] Charge data

[Elaine Meng]

Hi Nikolay,
You're welcome, I'm glad Chimera does some of what you want!

Hmmm, that's a good question.  I think it could be done by opening the structure, using only commands to carefully translate (and rotate, if needed) by some exact amount, then saving the transformed coordinates.

You would have to determine the needed amounts of motion.  I guess pure translation would be relatively simple if you know the current coordinates of the helix center you want to make the origin:  if (a,b,c) you could use commands:

move x -a
move y -b
move z -c  

<http://www.cgl.ucsf.edu/chimera/docs/UsersGuide/midas/move.html>

As for finding out helix center and axis if you don't already know them, commands "measure center" "measure inertia" and/or ("define axis" "define centroid" + Save button on axis/centroid table) may be useful:
<http://www.cgl.ucsf.edu/chimera/docs/UsersGuide/midas/measure.html>
<http://www.cgl.ucsf.edu/chimera/docs/UsersGuide/midas/define.html>

I hope this helps,
Elaine
----------
Elaine C. Meng, Ph.D. 
UCSF Computer Graphics Lab (Chimera team) and Babbitt Lab
Department of Pharmaceutical Chemistry
University of California, San Francisco


On Apr 24, 2012, at 3:14 PM, Nikolay Igorovich Rodionov wrote:

> Thank you so much, you've helped me a lot within the last week. I have one more question, is it possible to set a new origin for the axis? I have a helical molecule which was built from HETAM transformations so the origin is at the located in the center of the original molecule. I would like the move the origin to the center of the helix. 
> Nikolay Rodionov
>