RDKit Highlighting Atoms (deprecated)

This Node Is Deprecated — This node is kept for backwards-compatibility, but the usage in new workflows is no longer recommended. The documentation below might contain more information.

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.

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Installation

To use this node in KNIME, install the extension RDKit Nodes Tests Feature from the below update site following our NodePit Product and Node Installation Guide:

v5.4

A zipped version of the software site can be downloaded here.

Plugin provider: Novartis
Plugin version: 5.2.0.v202411222130
On NodePit since: 2024-12-06
Last update: 2024-12-22
Tags: Deprecated
KNIME versions: v5.4, v5.3, v5.2, v5.1, v4.7, v4.6, v4.5, v4.4, v4.3, v4.2, v4.1, v4.0, v3.7, v3.6

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