VMD-L Mailing List

From: Cun Zhang (apzc2529_at_gmail.com)
Date: Mon Aug 08 2011 - 21:34:01 CDT

Hope the following command helpful for you.

set sel [atomselect top "residue 0"]
set coord { 1 2 3 } # the final coord
$sel moveto $coord

$sel move [trans center $coord axis x 90] # the angle to rotate should be
computed manually.

On Tue, Aug 9, 2011 at 7:41 AM, Anna <mol.dynamics_at_yahoo.com> wrote:

>
> Dear vmd users,
>
> I am aware of commands such as move and moveby, however, I now need to
> rotate molecules into a configuration given in a data file that contains the
> coordinates of the centre of mass and the orientation of one axis. I would
> appreciate any suggestions, thank you in advance!
> A
>
>
>
> 

-- 
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Cun Zhang
Ph.D. Candidate
LNM,Institute of Mechanics
Chinese Academy of Sciences
Beijing, 100190, China
Tel:86-10-82544204
http://www.edwardpku.com/cun
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