CCL:G: openbabel question

 Sent to CCL by: Geoffrey Hutchison [grh25-#-cornell.edu]
Yes, it is correct that in Open Babel 2.0, we have not included the Gaussian z-matrix input format. Instead, we concentrated on two things: 
 * Making sure the core library is flexible and robust
 * Making sure "key formats" work well
So no, not all formats from the original babel are supported in Open Babel right now. Certainly if there seems to be a demand for gzmat, it can be added. Since it's a volunteer project, formats are added when people contribute them to us, or when developers like myself have a need (e.g., I start using WizzyChem). On the other hand, Gaussian cartesian input has been supported for ages.
Second, I also noticed that openbabel doesnt convert Gaussian output 
 anymore as babel used to do ... Is that also correct?
I use Open Babel to read Gaussian output every day. So I'm not sure how you decided that it doesn't convert Gaussian output -- for sure I don't have old Gaussian files so I can only test g98 and g03. 
 Older Gaussian files or other formats can be contributed:
 http://sourceforge.net/tracker/?atid=447448&group_id=40728&func=browse
 http://sourceforge.net/tracker/?atid=740158&group_id=40728&func=browse
 Cheers,
 -Geoff
 --
 -Dr. Geoffrey Hutchison        <grh25/a\cornell.edu>
 Cornell University, Department of Chemistry and Chemical Biology
 Abruña Group                http://abruna.chem.cornell.edu/
On Dec 13, 2005, at 9:39 AM, Vlad Cojocaru Vlad.Cojocaru-#-eml- r.villa-bosch.de wrote: 
 
 Sent to CCL by: Vlad Cojocaru [Vlad.Cojocaru=eml-r.villa-bosch.de]
 Dear CCL-ers,
    I have been using in the past babel to create gzmat files from mol2
or pdb. However, I noticed that openbabel doesnt support the gzmat file 
 format anymore ... Is that correct?
Second, I also noticed that openbabel doesnt convert Gaussian output 
 anymore as babel used to do ... Is that also correct?
    Although I am not using Gaussian at the moment I am just wondering
 why openbabel doesnt support these file formats?
 Best wishes
 vlad
 --
           Dr. Vlad Cojocaru
           EML Research gGmbH
           Molecular and Cellular Modeling Group
           Villa Bosch
           Schloss-Wolfsbrunnenweg 33
           69118 Heidelberg
           Germany
           Phone: +49-6221-533266
           Fax: +49-6221-533298
           e-mail: Vlad.Cojocaru.:.eml-r.villa-bosch.de
           <mailto:Vlad.Cojocaru.:.eml-r.villa-bosch.de>
           Additional info: my home page
           <http://projects.villa-bosch.de/mcm/people/cojocaru/>;