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RDKit Highlighting Atoms (deprecated)

DeprecatedRDKit Nodes for Knime version 4.0.1.v202006261025 by NIBR

Creates a SVG column showing a molecule with highlighted atoms based on information in the input table. A molecule column as well as a column with a list of the atoms to be highlighted needs to be provided. Note: This node has been replaced with the RDKit Molecule Highlighting node.

Options

RDKit Mol column
The input column with RDKit Molecules.
Column of list of atoms to highlight
The input column with the atoms to be highlighted.
Column name for molecule highlighted atoms
The name of the new column, which will contain the result.

Input Ports

Icon
Table with an RDKit Molecules and a List of Atoms to be highlighted.

Output Ports

Icon
The input table with an additional column that shows the highlighted atoms in an SVG molecule graphic.

Best Friends (Incoming)

Installation

To use this node in KNIME, install RDKit KNIME JUnit Test from the following update site:

KNIME 4.2
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Developers

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