CCL:G: Cartesian coordinates to Z-Matrix
- From: "Nuno A. G. Bandeira"
<nuno.bandeira%ist.utl.pt>
- Subject: CCL:G: Cartesian coordinates to Z-Matrix
- Date: Thu, 16 Nov 2006 21:55:09 +0000
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,
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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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