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creating movies in iRASPA

Started by rshukre, November 28, 2021, 10:36:17 PM

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I am studying the adsorption of carbon dioxide in zeolite 13X. I have the .cif file of framework and the coordinates of carbon dioxide and sodium ions in the .pdb file for every frame that is generated. How do I visualize every frame of the movie file, along with the framework .cif file in iRASPA ? I want to visually inspect adsorption sites in 13X zeolite.


David Dubbeldam

Select both files when loading them into iRASPA. The first tab in the project-pane shows the project. The second tab shows the two "movies" that you have loaded: the cif file with 1 frame, and the pdb with many frames. The third tab shows the frames of the movie.

Note: there is help in iRASPA (see menu item 'Help').