VMD-L Mailing List
From: John Stone (johns_at_ks.uiuc.edu)
Date: Wed Sep 15 2004 - 13:23:15 CDT
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- In reply to: Shirley Hui: "Solvate"
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Shirly,
You can't run the Solvate scripts without VMD as they are based
on the psfgen plugin, and make extensive use of the VMD atom selection
features. There are other standalone solvation packages available
elsewhere however:
http://www.mpibpc.gwdg.de/abteilungen/071/solvate/docu.html
You can certainly write VMD scripts that will solvate large numbers
of structures with the solvate plugin in a batch-like mode, if that's
really your ultimate goal.
John
On Tue, Sep 14, 2004 at 09:16:14AM -0400, Shirley Hui wrote:
> Is it possible to run solvate.tcl from the command line?
> I would like to use it as a "standalone" program without having to run it though VMD?
> Would I need to install Tcl/Tk in order to do this?
> thank you,
> shirley
-- 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: Uday K. Chippada: "Re: RE: Counting number of hydrogen bonds in the representation"
- Previous message: John Stone: "Re: Getting started with VMD/freeVR"
- In reply to: Shirley Hui: "Solvate"
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