Oops. Sorry Nicholas. I didn't realize your message didn't go to the
Perhaps Tim can make suggestions about the python terminal.
Begin forwarded message:
> From: Nicolas Bock <nicolasbock@...>
> Date: October 20, 2009 3:17:00 PM EDT
> To: Geoffrey Hutchison <geoff@...>
> Subject: Re: [Avogadro-Discuss] python terminal
> Thanks for the link. I had looked at that before, but couldn't
> really get the terminal to work. I will wait for 1.0 then.
> In the meantime, maybe I just describe what I was trying to do in
> the terminal. Maybe somebody here on this list knows the relevant
> terminal commands.
> I load a set of frames from an xyz file using the Animation
> extension. I would like to run the AutoOptimization tool on a set of
> atoms within each frame. The atom IDs within each frame are all the
> same. In the GUI right now I have to select the atoms, invert the
> selection, and run the AutoOptimization tool. With a larger number
> of frames this becomes somewhat errorprone.
> In any case, thanks for the link,
> On Tue, Oct 20, 2009 at 12:41, Geoffrey Hutchison <geoff@...
> > wrote:
> I am fairly new to avogadro and just now discovered the "python
> terminal". This sounds like a potentially very useful feature,
> however, I can't find any documentation on how to use it. Could you
> send me a link to where I could find it?
> There will be more documentation and scripts after Avogadro 1.0 is
> released this week.
> For now, check out: