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Re: most ChemicalData molecule plots missing? [solved]

  • To: mathgroup at
  • Subject: [mg96776] Re: most ChemicalData molecule plots missing? [solved]
  • From: congruentialuminaire at
  • Date: Tue, 24 Feb 2009 05:48:20 -0500 (EST)
  • References: <> <gnts90$rff$>

Thanks Mitch...this is useful!


On Feb 23, 2:03 am, Mitch Murphy <mi... at> wrote:
> i wrote the following ElementPlot3D and MoleculePlot3D functions which =
> automatically generate the molecule plot based on
>         ElementData[atom, "AtomicRadius"]
>         ElementData[atom, "Abbreviation"]
>         ChemicalData[chem, "AtomPositions"]
>         ChemicalData[chem, "VertexCoordinates"]
>         ChemicalData[chem, "VertexTypes"]
>         ChemicalData[chem, "EdgeRules"]
> my code uses VertexCoordinates if AtomPositions is missing, but does  
> not handle both missing. another potential improvement would be to  
> have double/triple edge rules where applicable (all bonds are drawn as =
> a single tube in my code).
> cheers,
> Mitch
> <snipped/>

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