Author Topic: Get channel and cages from zeolites in iRaspa  (Read 490 times)

cbornes

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Get channel and cages from zeolites in iRaspa
« on: March 23, 2021, 08:38:43 PM »
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

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Re: Get channel and cages from zeolites in iRaspa
« Reply #1 on: March 25, 2021, 03:13:45 PM »
It is a standard example of iRASPA. It is in the gallery examples.
Gallery -> Primitives -> MFI

cbornes

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Re: Get channel and cages from zeolites in iRaspa
« Reply #2 on: March 31, 2021, 10:25:08 AM »
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

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Re: Get channel and cages from zeolites in iRaspa
« Reply #3 on: April 08, 2021, 10:00:31 AM »
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

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Re: Get channel and cages from zeolites in iRaspa
« Reply #4 on: April 22, 2021, 01:19:21 PM »
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

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Re: Get channel and cages from zeolites in iRaspa
« Reply #5 on: May 04, 2021, 07:50:02 PM »
You should be able to add an 'ellipsoid'. See the IRMOF-1 example in the 'primitives' section of the Gallery.