Dan,
I’m not sure about the Jmol application, but I don’t think it’s the best
testing environment for what you want to do with an applet.
Here’s a JSmol page that does the kind of callback stuff that you’re trying to
do. All the code is in the page, so feel free to pick around and see if any of
the callback code is of use to you:
http://chemagic.com/molecules/mini.html
<http://chemagic.com/molecules/mini.html>
Otis
> On May 5, 2015, at 8:59 AM, Daniel Damelin <ddame...@gmail.com> wrote:
>
> Hi folks,
>
> I’m trying to get some feedback from Jmol when the user modifies a structure
> using “set picking assignatom_?”
>
> I’ve tried “set picking assignatom_O” so when the user clicks on an atom it
> changes to oxygen.
>
> I thought set StructureModifiedCallback would trigger when the user clicks on
> an atom to make the change, but it doesn’t seem to be working. set
> PickCallback doesn’t work either in this mode, but does if I just do “set
> picking true.”
>
> So far, I’ve been testing things in the Jmol application (14.2.13) before I
> begin really making something, but I can’t seem to find a callback that will
> notify me when the user changes the structure using assignatom.
>
> The way I’ve been testing is through the Jmol console.
>
> set picking assignAtom_O
> set StructureModifiedCallback “jmolscript:print 1;”
> … (click around and change the structure, but nothing happens in the console)
>
> Note: the above testing works fine if I do something like set hoverCallback
> “jmolscript:print 1;” (of course it only triggers on hover, not when I change
> the structure).
>
> Am I doing something wrong?
>
> Eventually, this will be a JSmol applet that allows the user to change the
> structure, after which it would calculate partial charges, minimize, and show
> an MEP mapped isosurface. The thing holding me up now is knowing when the
> structure has changed.
>
> Thanks,
> -Dan Damelin
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