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Re: most ChemicalData molecule plots missing? [solved]

  • To: mathgroup at smc.vnet.net
  • Subject: [mg96776] Re: most ChemicalData molecule plots missing? [solved]
  • From: congruentialuminaire at yahoo.com
  • Date: Tue, 24 Feb 2009 05:48:20 -0500 (EST)
  • References: <499F3178.3080600@wolfram.com> <gnts90$rff$1@smc.vnet.net>

Thanks Mitch...this is useful!

Regards..RogerW

On Feb 23, 2:03 am, Mitch Murphy <mi... at lemma.ca> 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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