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46174 Views 2 Replies Latest reply: Jan 29, 2010 8:53 AM by stodd RSS
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Jul 7, 2010 2:09 AM

Create a trajectory of a rotating molecule

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Hi there,

 

This script takes a molecule and rotates it about the centre of mass. Each rotation frame is written out to a trajectory and the final trajectory is imported back into the project.

 

This trajectory can be exported as an avi allowing you to generate movies of rotating molecules.

 

The script uses the car format to export the individual frames. These are then formatted correctly and concatenated into an arc trajectory file which is re-imported. As car files are used, not all information about the molecule is exported eg geometry monitors etc are not stored. However, I have written it so that the minimum of the atom color and display style is stored and reset on the new trajectory.

 

Minimum version: Materials Studio 4.2 (should work on 4.1, not tested tho')
Modules: Materials Visualizer

 

Best regards,

 

Stephen

 

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