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/>