On Mon, Jan 23, 2017 at 01:48:35PM +0000, Holger Levsen wrote: > On Mon, Jan 23, 2017 at 12:31:49PM +0100, Petter Reinholdtsen wrote: > > [Michael Banck] > > > Avogadro has a much better GUI and support for geometry optimizations > > > via force fields as well; and can read/write output/input of severl > > > quantum chemistry packages in Debian; you'd have to run the computation > > > yourself, though. > > the last sentence sounds a bit scary / less user-friendly. After a quick look at both tools I'd say that avogadro is much more user friendly and has a lot more GUI features and tools available. > anyhow, maybe for now we'd just add avogadro as an alternative > recommends? IMO avogadro should replace ghemical. Wolfgang
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