good catch. Fixed for Jmol 12.0.RC24
On Mon, Jul 5, 2010 at 1:08 PM, Eric Martz <[email protected]>wrote:
> At
>
> http://chemapps.stolaf.edu/jmol/docs/examples-11/new8.htm
>
> item #9 describes "dynamic element definition".
>
> After you click the link to change one hydrogen to a boron, if you
> click "minimize" (in red below Jmol), the boron moves satisfyingly.
>
> However, after you click the link to change the born back to
> hydrogen, clicking "minimize" does not restore the hydrogen to its
> original position (nor the changed bond angle).
>
> Similarly, if, after loading caffeine.xyz, you first click the link
> that changes carbons to Cl and Fe, and H to B, and minimize, the ring
> expands satisfyingly to accomodate the larger atoms.
>
> However, if, after loading caffeine.xyz, you first click the link
> that changes C to Cl and Fe, then you minimize, and then you change
> them back to C, then minimize again, the ring does not shrink.
>
> It seems that the first time you minimize, it works, but the second,
> it does not.
>
>
I have set Jmol to clear the minimization if any atom property is changed.
> -Eric
>
>
>
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