From owner-chemistry@ccl.net Fri Nov 17 03:01:01 2006
From: "Dr. Raphael Berger rberg_01{}uni-muenster.de" <owner-chemistry=server.ccl.net>
To: CCL
Subject: CCL:G: Cartesian coordinates to Z-Matrix
Message-Id: <-33051-061117003049-18978-IhCkAlT4jLoABb9QFowPwg=server.ccl.net>
X-Original-From: "Dr. Raphael Berger" <rberg_01]![uni-muenster.de>
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Date: Fri, 17 Nov 2006 06:30:11 +0100 (MEZ)
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Sent to CCL by: "Dr. Raphael Berger" [rberg_01=-=uni-muenster.de]
You can also use Molden (open it with *.xyz type files, then press ZMAT Editor 
and save the resulting file). Here You can check the results graphically.

Cheers

On Thu, 16 Nov 2006, Nuno A. G. Bandeira nuno.bandeira!^!ist.utl.pt wrote:

> Date: Thu, 16 Nov 2006 21:54:05 -0500
> From: Nuno A. G. Bandeira nuno.bandeira!^!ist.utl.pt <owner-chemistry%a%ccl.net>
> Reply-To: CCL Subscribers <chemistry%a%ccl.net>
> To: "Berger, Raphael " <rberg_01%a%uni-muenster.de>
> Subject: CCL:G: Cartesian coordinates to Z-Matrix
> 
> Sent to CCL by: "Nuno A. G. Bandeira" [nuno.bandeira\a/ist.utl.pt]
>
> Da Gao dagao06{=}gmail.com wrote:
>> Sent to CCL by: "Da Gao" [dagao06,+,gmail.com]
>> ------=_Part_125354_27878444.1163701336195
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>>
>> Dear all,
>>
>> Is anyone here be aware of the software that can transfer Cartesian
>> coordinates to Z-Matrix ? Thanks for sharing.
>>
>
> Yes, you can use openbabel to convert from xyz coordinates to
> Fenske-Hall (Gaussian) Z-Matrix.
>
> Regards,
>
> -- 
> Nuno A. G. Bandeira, AMRSC
> Graduate researcher and molecular sculptor
> Inorganic and Theoretical Chemistry Group,
> Faculty of Science
> University of Lisbon - C8 building, Campo Grande,
> 1749-016 Lisbon,Portugal
> http://cqb.fc.ul.pt/intheochem/nuno.html
> Doctoral student _-_ IST,Lisbon
> -->
>
>