Author Topic: creating movies in iRASPA  (Read 393 times)

rshukre

  • Newbie
  • *
  • Posts: 13
    • View Profile
creating movies in iRASPA
« on: November 28, 2021, 10:36:17 PM »
Hello,

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.

Thanks,
Rajasi

David Dubbeldam

  • Full Member
  • ***
  • Posts: 197
    • View Profile
Re: creating movies in iRASPA
« Reply #1 on: December 02, 2021, 10:58:18 AM »
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').