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3D Molecule Viewer Example

This example workflow demonstrate how to add conformers and create a 3D visualization of a list of molecules. The 3D Molecule Viewer component can be combined with a Table View node in a component to allow interactivity between the two views. In the interactive view the user can select specific molecules from the Table View to be visualized in 3D.

This example workflow demonstrate how to add conformers and create a 3D visualization of a list of molecules. The 3D Molecule Viewercomponent can be used in combination with a Table view to select specific molecules for visualization. Table Reader RDKit Add Hs RDKit AddConformers Joiner Add conformer ids 3D Molecule withData Table View RDKit To Molecule This example workflow demonstrate how to add conformers and create a 3D visualization of a list of molecules. The 3D Molecule Viewercomponent can be used in combination with a Table view to select specific molecules for visualization. Table Reader RDKit Add Hs RDKit AddConformers Joiner Add conformer ids 3D Molecule withData Table View RDKit To Molecule

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To use this workflow in KNIME, download it from the below URL and open it in KNIME:

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Created by: janinamothes
Created at: 2020-12-18
On NodePit since: 2020-12-20
Last update: 2024-11-21
Created with KNIME version: v4.3.0
Tags: Life Science3DMolecule

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