> I am using Openbabel GUI on windows. I am converting SMILES to xyz format > using 'generate 3D coordinates' option. Everything is looking fine (viewing > in gui.svg viewer in firefox) as expected.
I'm not sure why you're generating 3D coordinates to view a 2D format (SVG). > But when i am taking the output xyz data to view in other molecular editors > like GaussView or Avogadro, it is not giving the structure as viewed in > gui.svg I'm not sure what that means. The XYZ file will be a 3D molecule, not a 2D depiction. Perhaps you can give us a concrete example of the SMILES, the SVG and the XYZ file? Thanks very much, -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/ _______________________________________________ OpenBabel-discuss mailing list OpenBabel-discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/openbabel-discuss
