CCL:G: openbabel question

 Sent to CCL by: Vlad Cojocaru [Vlad.Cojocaru-$-eml-r.villa-bosch.de]
 Dear Geoffrey,
    Thanks for the answers to my questions ... I thought that the
 Gaussian output is not supported because when I type babel -H into the
 terminal, there is no g94, g98 or g03 input fyle type ... So, it was
 more like a guess .. I didnt test it. However, if it supports those
 files as input, I thought they should be listed by -H option... But,
 again at the moment I am not using Gaussian so it was a rather
 informative question, not based on encountered problems...
 Best
 vlad
 Geoffrey Hutchison grh25**cornell.edu wrote:
 >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/>;
 >
 >
 >
 >
 >
 --
           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/>;