VMD-L Mailing List
From: John Stone (johns_at_ks.uiuc.edu)
Date: Wed Apr 06 2005 - 13:33:12 CDT
- Next message: John Stone: "Re: dynamic coloring"
- Previous message: jbaucom_at_unity.ncsu.edu: "capturing box dimensions from amber coordinate files"
- In reply to: jbaucom_at_unity.ncsu.edu: "capturing box dimensions from amber coordinate files"
- Messages sorted by: [ date ] [ thread ] [ subject ] [ author ] [ attachment ]
Jason,
Which specific amber input file type are you loading? I'll need to check
the plugin for the file format you're reading to determine whether it
reads box dimensions etc. Regarding center-of-mass calculations, there's
an example script in the VMD User's Guide:
http://www.ks.uiuc.edu/Research/vmd/current/ug/node177.html#13492
Enjoy,
John Stone
vmd_at_ks.uiuc.edu
On Wed, Apr 06, 2005 at 01:39:08PM -0400, jbaucom_at_unity.ncsu.edu wrote:
> Once VMD reads in coordinates from an amber input file, are the
> box dimensions stored anywhere? If so, how can I access them?
>
> I'm also looking to automate the process of finding the center of
> mass. I'm not looking to move the structures, just locate it. Anyone
> have a script handy for such a process?
>
> Jason
-- NIH Resource for Macromolecular Modeling and Bioinformatics Beckman Institute for Advanced Science and Technology University of Illinois, 405 N. Mathews Ave, Urbana, IL 61801 Email: johns_at_ks.uiuc.edu Phone: 217-244-3349 WWW: http://www.ks.uiuc.edu/~johns/ Fax: 217-244-6078
- Next message: John Stone: "Re: dynamic coloring"
- Previous message: jbaucom_at_unity.ncsu.edu: "capturing box dimensions from amber coordinate files"
- In reply to: jbaucom_at_unity.ncsu.edu: "capturing box dimensions from amber coordinate files"
- Messages sorted by: [ date ] [ thread ] [ subject ] [ author ] [ attachment ]