VMD-L Mailing List

From: Axel Kohlmeyer (akohlmey_at_gmail.com)
Date: Tue Apr 29 2014 - 08:54:50 CDT

On Tue, Apr 29, 2014 at 8:49 AM, Jean-Patrick Francoia
<jeanpatrick.francoia_at_gmail.com> wrote:
> 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 ?

find a program/tool that converts a SMILES string into a supported
file format and then load that file into VMD.

>
> Regards
>
> JP
> 

-- 
Dr. Axel Kohlmeyer  akohlmey_at_gmail.com  http://goo.gl/1wk0
College of Science & Technology, Temple University, Philadelphia PA, USA
International Centre for Theoretical Physics, Trieste. Italy.