VMD-L Mailing List

From: John Stone (johns_at_ks.uiuc.edu)
Date: Thu Aug 28 2014 - 13:25:19 CDT

Hi,
  Your question doesn't really make it clear what you mean by
"saving the position". If you're loading a simulation trajectory,
the atomic coordinates of the structure are already "saved".
I'm assuming that what you want is to make a list of the trajectory frames
that meet some particular criteria, and then show those at a later time?
If you can provide more details and be more specific that would be helpful.

Cheers,
  John Stone
  vmd_at_ks.uiuc.edu

On Thu, Aug 28, 2014 at 03:37:34PM +0000, Ebert Maximilian wrote:
> Hi there,
>
> I am looking for a console way to store the position of a molecule in a frame if it meets certain conditions. At the end I want to draw all molecules stored on top of the first frame to analyze the positions of each molecule. In there a way to store an entire molecule in a variable and draw it out later?
>
> Thanks for your help,
> Max 

-- 
NIH Center for Macromolecular Modeling and Bioinformatics
Beckman Institute for Advanced Science and Technology
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http://www.ks.uiuc.edu/Research/vmd/