Save animation of optimization

Development
1

Hi,

Is it possible to perform a geometry optimization with one of the force
fields available in avogadro and then save it as an animation.
In the 0.9.4 version I’m using I can import a trajectory and save an
animation, but I can’t figure out how to save an avi of my optimization.

Thanks for any help,
Karol

–
written by Karol Langner
Thu Jun 4 15:21:00 CEST 2009

2

Karol Langner wrote:

Hi,

Is it possible to perform a geometry optimization with one of the force
fields available in avogadro and then save it as an animation.
In the 0.9.4 version I’m using I can import a trajectory and save an
animation, but I can’t figure out how to save an avi of my optimization.

Thanks for any help,
Karol

Hi Karol,

This feature has not been implemented yet, it should not be too hard to
do though. If only there were more hours in the day. Animation is an
area that could do with more attention, we have some great early
features that need fleshing out. With this each step could be saved by
the optimization extension as a conformer, this would then allow the
animation extension to render the animation.

Thanks,

Marcus

3

Karol Langner wrote:

On Thursday 04 June 2009 17:23:17 Marcus D. Hanwell wrote:

Karol Langner wrote:

Hi,

Is it possible to perform a geometry optimization with one of the force
fields available in avogadro and then save it as an animation.
In the 0.9.4 version I’m using I can import a trajectory and save an
animation, but I can’t figure out how to save an avi of my optimization.

Thanks for any help,
Karol

Hi Karol,

This feature has not been implemented yet, it should not be too hard to
do though. If only there were more hours in the day. Animation is an
area that could do with more attention, we have some great early
features that need fleshing out. With this each step could be saved by
the optimization extension as a conformer, this would then allow the
animation extension to render the animation.

Thanks,

Marcus

Hi,

Sorry for emailing twice to the list, I just signed up to this mailing list
and didn’t get the first email I sent. If it should not be too hard and no one
has time, then maybe I could look into the code myself? I’ve compiled and
looked through the source some time ago (last year), but haven’t contributed
anything yet. Do you think this might be a good way to start?

Cheers,
Karol

I think it would be a great way to start, and we would welcome the help.
If you have any trouble getting started please mail the list, or ask on
IRC (avogadro@freenode.net). We are heading towards a feature/string
freeze - ideally on 7 June for a 1.0.0 release slated for July.