Author Topic: Mult. Val. Adsorption Surfaces  (Read 341 times)

Pezhman Zarabadi-Poor

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Mult. Val. Adsorption Surfaces
« on: March 30, 2018, 02:39:31 PM »
Dear David,

I would like to visualize adsorption surfaces similar to Figure 14 of iRASPA paper. I am wondering how it possible to have Multiple Values for Isocontour value and Opacity as well as different assigned colors?

Thank you in advance.

My best,
Pezhman

David Dubbeldam

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Re: Mult. Val. Adsorption Surfaces
« Reply #1 on: March 30, 2018, 04:31:19 PM »
In the scene-navigator (https://www.iraspa.org/iRASPA/index.html#/SceneNavigator) use copy and paste to create an identical new structure (select, then command-C, command-V). Then select the second (the new one) and change the properties of the adsorption surface. If you want to avoid drawing the second set of atoms needlessly, then you can switch off the drawing of atoms and bonds for the second one, and only use the adsorption surface.
For example, see the gallery-section of the project-navigator, then "Adsorption surfaces", then "CHA_SI", it has three structures for the three surfaces, each with a different isovalue, transparency and color.
« Last Edit: March 30, 2018, 04:32:50 PM by David Dubbeldam »