VMD-L Mailing List
From: John Stone (johns_at_ks.uiuc.edu)
Date: Mon Nov 22 2004 - 21:11:43 CST
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- In reply to: Philip Blood: "obtaining lists of bond, angle, and dihedral interactions"
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Phil,
While you don't have to do it manually, you'd need to write a script
to generate and query the various angle combinations you're interested in:
http://www.ks.uiuc.edu/Research/vmd/current/ug/node117.html
Let us know if you need more help.
John Stone
vmd_at_ks.uiuc.edu
On Fri, Nov 19, 2004 at 04:21:44PM -0700, Philip Blood wrote:
> Hi,
>
> Is there a straightforward way to output a list of all the bond, angle,
> and dihedral interactions in a molecule without have to specify each
> pair (or trio, etc) manually? I have looked through some of the
> scripting commands for the first time today, so I am very new at this.
> I appreciate your help.
>
> Phil
>
-- 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: Label using TCL"
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