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Re: Visualizing molecular models (.mol) using Octave
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From: |
Santiago Romero-Vargas Castrillon (address@hidden) |
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Subject: |
Re: Visualizing molecular models (.mol) using Octave |
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Date: |
Wed, 26 May 2010 08:48:46 -0400 |
Both. I am trying to visualize the molecular structure of a protein solvated in
water.
----- Original Message -----
From: Jordi Gutiérrez Hermoso <address@hidden>
Date: Wednesday, May 26, 2010 3:22 am
Subject: Re: Visualizing molecular models (.mol) using Octave
To: Santiago Romero-Vargas Castrillon <address@hidden>
Cc: address@hidden
> On 25 May 2010 22:06, Santiago Romero-Vargas Castrillon
> <address@hidden> wrote:
> > Is it possible to visualize .mol files using octave? This file
> contains the
> > positions and bond connectivity of atoms within a molecule.
>
> This suggests that ".mol" isn't well-defined:
>
> http://en.wikipedia.org/wiki/Chemical_file_format
>
> What are you trying to visualise? Is the problem reading the data into
> Octave or how to use Octave's plotting? Or both?
>