CCL:G: MOPAC cube file ..?
- From: André Farias de Moura <moura{:}ufscar.br>
- Subject: CCL:G: MOPAC cube file ..?
- Date: Tue, 18 Nov 2014 15:33:43 -0200
Hi Doug,
Gabedit does that, you can convert aux file into cube files and can do some
cube file manipulations as well.
best,
Andre
On Tue, Nov 18, 2014 at 11:37 AM, Douglas Houston DouglasR.Houston##ed.ac.uk
<owner-chemistry###ccl.net> wrote:
>
> Sent to CCL by: Douglas Houston [DouglasR.Houston^_^ed.ac.uk]
> Hi all,
>
> Can anyone tell me if there is a way to convert from any of the output
> formats that MOPAC2012 can write to GAUSSIAN cube file format?
>
> Failing that, would it be possible to send me an example cube file for
> something simple like e.g. ethane?
>
> cheers,
> Doug
>
>
>
> _____________________________________________________
> Dr. Douglas R. Houston
> Lecturer
> Institute of Structural and Molecular Biology
> Room 3.23, Michael Swann Building
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_____________
Prof. Dr. André Farias de Moura
Department of Chemistry
Federal University of São Carlos
São Carlos - Brazil
phone: +55-16-3351-8090