Fwd: python terminal

Oops. Sorry Nicholas. I didn’t realize your message didn’t go to the
mailing list.

Perhaps Tim can make suggestions about the python terminal.


Begin forwarded message:

From: Nicolas Bock nicolasbock@gmail.com
Date: October 20, 2009 3:17:00 PM EDT
To: Geoffrey Hutchison geoff.hutchison@gmail.com
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.hutchison@gmail.com

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: