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Get channel and cages from zeolites in iRaspa

Started by cbornes, March 23, 2021, 08:38:43 PM

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cbornes

Hi

I'm trying to get a similar image to the one linked below. I'm want to get a schematic representation of the channel system of MFI.

Also is it possible to get the channel intersections?

https://www.compchem.nl/wp-content/uploads/MFI-schematics-1536x864.png

David Dubbeldam

It is a standard example of iRASPA. It is in the gallery examples.
Gallery -> Primitives -> MFI

cbornes

Dear David

Thanks for the answer, I was wondering if there is a way to indicate the channel intersections in a different way showing they are bigger. I remember zeomics allowed to make the channels in yellow and the channel intersections in blue and it was easy to see that they were much larger. But I guess Zeomics does not work nowadays and it's way less flexible than iRaspa.

Also, how can I do this channel representation for other zeolites?

Thanks

David Dubbeldam

Drag the MFI-example to your local projects so that it is editable. Then select the channel in the 'Scene Navigator' (See help).
After that go to the detail-view called 'Appearance' on the right, and set the properties of the 'primitive' (like the color and shape/size of the cylinder primitive).

cbornes

Hi David thanks for the answer.

I'm not quite sure how I can transform the tubes into a sphere. I've been playing around with the transformation number under Appearance --> Properties but I can not transform a tube into a sphere. I was able to do cubes, pyramids and so on.

David Dubbeldam

You should be able to add an 'ellipsoid'. See the IRMOF-1 example in the 'primitives' section of the Gallery.