In general, Open Babel will extract frames of a Gaussian calculation into separate conformers, so --writeconformers should work for you. That said, you might also want to look at http://cclib.github.io/
obabel gaussian.out -O .xyz -m --writeconformers # should work -Geoff --- Prof. Geoffrey Hutchison Department of Chemistry University of Pittsburgh tel: (412) 648-0492 email: geo...@pitt.edu twitter: @ghutchis web: https://hutchison.chem.pitt.edu/ > On Dec 3, 2018, at 2:10 PM, Yu Guo <y...@kth.se> wrote: > > Dear Sir/Madam, > I want to abstract xyz coordinates of all the structures in a Gaussian16 IRC > output and write these coordinates into a single txt file or separate txt > files. Can openbabel realize it or if not, do you have any tips? > Best wishes > _______________________________________________ > OpenBabel-discuss mailing list > OpenBabel-discuss@lists.sourceforge.net > <mailto:OpenBabel-discuss@lists.sourceforge.net> > https://lists.sourceforge.net/lists/listinfo/openbabel-discuss > <https://lists.sourceforge.net/lists/listinfo/openbabel-discuss>
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