CCL:G: Cartesian coordinates to Z-Matrix



 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]
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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
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