Animation of reaction frames does not alter the bonding

Bugs item #3043641, was opened at 2010-08-12 12:53
Message generated for change (Tracker Item Submitted) made by lloyd630
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Category: Rendering
Group: v 1.0.0
Status: Open
Resolution: None
Priority: 5
Private: No
Submitted By: Lloyd (lloyd630)
Assigned to: Nobody/Anonymous (nobody)
Summary: Animation of reaction frames does not alter the bonding

Initial Comment:

The output from the reaction animation rendering does not change the bonding.

These are the steps to reproduce this. The system is Avogadro 1.0.1 on Windows 7 64 bit with Pov-Ray v3.6.2.msvc9.win64. Graphics card is a nvidia 8400GS with the updated drivers (so opengl actually works on win7).

I ran the SN2 reaction (from Jan Jensens excellent blog!) through gamess to generate the multiframe file describing the reaction (attached).
Opened this file in avogadro, went to ‘Extensions > Animation…’ and loaded the same file there, checked the ‘Dynamic bonds’ box and played with the slider. The frames animated fine.
Clicked on save as .avi, chose a place, clicked ok. It came up with a message about the screen size. Chose ‘1’ so the pov-ray output wouldn’t be the wrong ratio.
Clicked ok. For every frame in the file the error message ‘Could not run pov-ray’ came up’, clicked ‘ok’ and the .pov file was written anyway. Did this for every frame in the .xyz file (135!). (Is this because ‘keep single instance’ for pov ray is active?). Final message ‘could not write .avi’.
Ran the 1st and last .pov file manually. The atom coords have changed correctly but the bonding has remained the same. I can only attach one file so i attached the reaction .xyz file.

Avogadro is really great btw, hope you guys can clear this one up.



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