I know that CrystalExplorer (http://hirshfeldsurface.net/) will generate
Hirshfeld surfaces, but I haven’t used it much. It relies on some kind of
wavefunction calculation (Tonto or Gaussian in the case of
CrystalExplorer), so I imagine that Jmol will similarly require more than
just coordinates.
OK, well, do let me know if you find something. What I read is that it is
"relatively simple to implement".
Bob
On Tue, Aug 9, 2016 at 12:36 PM, S Westrip wrote:
> Thanks
>
> No - I don't have an algorithm - literally just started to look into
> this...
>
> I was just
Thanks
No - I don't have an algorithm - literally just started to look into this...
I was just using Jmol as my first "port of call" - Jmol often has the answers
and saves we the work :-)
Cheers
Simon
On Aug 09, 2016, at 05:49 pm, Robert Hanson wrote:
No, it
No, it cannot. Have an algorithm?
On Tue, Aug 9, 2016 at 11:40 AM, S Westrip wrote:
> Hello
>
> Does anyone know if Jmol can render Hirshfeld surfaces?
>
> Cheer
>
> Simon
>
>
> --
> What
Hello
Does anyone know if Jmol can render Hirshfeld surfaces?
Cheer
Simon
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