Re: [Jmol-users] Rotation of LCAO cartoon orbitals

[Bob H. <ha...@st...>]

One option would be to raise the cutoff to a much higher value. I've had success with JVXL loading for molecular surfaces. MOs would be easier. 

Sent from my stupid iPhone 

On Aug 20, 2012, at 7:07 PM, "Greeves, Nick" <ngr...@li...> wrote:

> Bob et al,
> 
>> I wonder if you could use actual MOs.
> 
> We are trying to use actual calculated MOs as well but as usual they are overly complex. The MOs are calculated for the combination of the diane and the dienophile so the HOMO is on the diene at the start of the animation and becomes the alkene in the product. Meanwhile the LUMO starts out on the dienophile double bond and ends up on the associated carbonyl.
> 
> If you are really really patient you can see an example here http://138.253.125.24/~ng/externaltest/MOanim.html I recommend having a Java console running so you can tell it is still alive. For reasons I don't understand different browsers seem to show either the HOMO applet or the LUMO applet - memory problems I expect.
> 
> But for comparison we would like to have LCAOcartoons as well (not at the same time).
> 
> All the best
> Nick
> -- 
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