You also have to call the function to generate 3d coordinates. 1) read smiles into ormolu 2) generate 3d coordinates 3) you can loop over atoms and have coordinates
I think if you don’t generate the coordinates, they’ll all be 0,0,0 -David > On Nov 3, 2014, at 8:28 AM, Nathan Pimental <nathansai...@gmail.com> wrote: > > I will be away from a computer with Open Babel for a while, but I would like > to ask, is finding the coordinates of atoms in a molecule as simple as making > a molecule by OB conversion from SMILES code, then foreaching each atom and > getting their coordinates? > Thank you for your time! > > -- > --Nathan Pimental, > --Peppertree Labs (http://ptp.x10.mx <http://ptp.x10.mx/>) > > ------------------------------------------------------------------------------ > _______________________________________________ > OpenBabel-discuss mailing list > OpenBabel-discuss@lists.sourceforge.net > https://lists.sourceforge.net/lists/listinfo/openbabel-discuss
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