VMD-L Mailing List

From: Norman Geist (norman.geist_at_uni-greifswald.de)
Date: Tue Apr 29 2014 - 10:01:56 CDT

I don't think this is possible even with scripting, as "building" tools do
usually have a database with coordinate templates. How could you otherwise
determine the position of the atoms while adding them? VMD is more a
visualization-, than a building-tool, although it can be used for
parameterization.

Norman Geist.

> -----Ursprüngliche Nachricht-----
> Von: owner-vmd-l_at_ks.uiuc.edu [mailto:owner-vmd-l_at_ks.uiuc.edu] Im
> Auftrag von Jean-Patrick Francoia
> Gesendet: Dienstag, 29. April 2014 14:49
> An: vmd-l_at_ks.uiuc.edu
> Betreff: vmd-l: Visualize a SMILES string
>
> Hello,
>
> I wonder if there is a way to visualize a SMILES string in VMD, and
> possibly in 3D. I did a bit of digging but found nothing clear.
>
> How do you do that ?
>
> Regards
>
> JP 

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