VMD-L Mailing List
From: John Stone (johns_at_ks.uiuc.edu)
Date: Thu Aug 28 2014 - 13:25:19 CDT
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.
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,
-- NIH Center for Macromolecular Modeling and Bioinformatics Beckman Institute for Advanced Science and Technology University of Illinois, 405 N. Mathews Ave, Urbana, IL 61801 http://www.ks.uiuc.edu/~johns/ Phone: 217-244-3349 http://www.ks.uiuc.edu/Research/vmd/