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Running Ovito from terminal via scripting

Dear all,

Is it possible to write a bash a script that have a few terminal command and a few Ovito command to go over all the trajectories in a folder and create movie for some of them?

This is especially useful if someone wants to run Ovito on a HPC cluster.

Thanks for you help,

Amir

Sure, this should be possible, you might find the following python modules helpful:

https://docs.python.org/3/library/glob.html

https://docs.python.org/3/library/os.html#os.system

https://docs.python.org/3/library/subprocess.html#module-subprocess

Once you have set up your ovito pipeline, you can re-use it for the different trajectories. Instead of calling import_file() again to load another file, you can use the pipeline.source.load(...) method to replace the input file of the already existing pipeline.

 

Thanks for the links! In fact, I have the free version!

Thanks this helped me