VMD-L Mailing List
From: John Stone (johns_at_ks.uiuc.edu)
Date: Fri Aug 05 2011 - 16:15:47 CDT
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- In reply to: winardi, erik: ".car or .xyz output"
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Hi,
VMD should let you write the coordinates to an XYZ file, as I believe
the plugin includes writing capability. Can you tell us more specifically
what you tried to do that didn't work?
Cheers,
John Stone
vmd_at_ks.uiuc.edu
On Wed, Aug 03, 2011 at 05:39:47PM -0700, winardi, erik wrote:
> Dear VMD Community,
> I am looking for some information about how to use VMD to output the
> coordinates of atoms (in the xyz format) of the molecular system. I have
> the initial coordinates of the molecular system in the ".car" format and
> the trajectory of atoms saved at each specified time step during the
> numerical calculations by the LAMMPS code which is ".xyz" format. Both
> files can be read into VMD and animate the evolution of various molecules
> in the system. However, I cannot find a way to output the coordinates of
> atoms at one instance in the .car or .xyz format. Could anybody help me ?
> Many Thanks!
> Erik Winardi
> Student at UAB
-- NIH Resource 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/ Fax: 217-244-6078
- Next message: John Stone: "Re: PDB manipulation"
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- In reply to: winardi, erik: ".car or .xyz output"
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