[Chimera-users] calculating centroid of atoms

Eric Pettersen pett at cgl.ucsf.edu
Thu Apr 2 11:48:54 PDT 2009

Hi Bala,
	David had good suggestions, but if you just want the center with  
equal weights for each atom then you can use Chimera's 'cofr' command  
to get that if you're careful.  For instance:

	cofr :10.a & aromatic ring

will report the center of the aromatic ring in residue 10 of chain A  
to the status line and to the Reply Log.  However, it reports it in  
lab coordinates, not model coordinates, so you have to be careful not  
to move your model after opening it -- so that the model and lab  
coordinates are the same.  If you do move it, you should be able to  
use the "reset" command to get the coordinate systems back in sync.   
This presumes that you don't have other models open.


                         Eric Pettersen
                         UCSF Computer Graphics Lab

On Apr 2, 2009, at 1:06 AM, Bala subramanian wrote:

> Friends,
> I want to choose certains atoms and get the x,y,z coordinates of the  
> center. Kindly write me how to do it in chimera.
> Bala
> _______________________________________________
> Chimera-users mailing list
> Chimera-users at cgl.ucsf.edu
> http://www.cgl.ucsf.edu/mailman/listinfo/chimera-users

-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://plato.cgl.ucsf.edu/pipermail/chimera-users/attachments/20090402/4ba9281b/attachment.html>

More information about the Chimera-users mailing list