[Avogadro-Discuss] Fwd: python terminal

[Geoffrey H. <ge...@ge...>]

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.

-Geoff

Begin forwarded message:

> From: Nicolas Bock <nic...@gm...>
> Date: October 20, 2009 3:17:00 PM EDT
> To: Geoffrey Hutchison <ge...@ge...>
> 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,
>
> nick
>
>
> On Tue, Oct 20, 2009 at 12:41, Geoffrey Hutchison <ge...@ge... 
> > 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:
> http://avogadro.openmolecules.net/wiki/Category:Scripting
>
> Cheers,
> -Geoff
>