Molecule Widget

Outputs a molecule string in the specified format. The molecule can also be sketched or its string representation be edited in a widget (KNIME WebPortal).

Options

Label: AA descriptive label that will be shown in the view.
Description: Some lines of description that will be shown in the view, for instance by means of a tooltip.
Hide in Dialog: If the setting should be hidden in the sub node dialog.
Variable Name: Variable identifier.
Parameter Name: Parameter identifier for external parameterization (e.g. batch execution).
Enable SMILES, SMARTS, HELM Formats: If this is selected, the SMILES, SMARTS, HELM formats can be selected from the format list.
Format: The format of the molecule string. Please note that not all molecule sketchers support all formats.
Default Value: The value that is selected by default.

Input Ports

This node has no input ports

Output Ports

: Variable output with the given variable defined.

Popular Predecessors

Popular Successors

Views

Interactive View: Molecule Widget: Input a molecule.

Workflows

Developers

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Installation

To use this node in KNIME, install the extension KNIME Quick Forms from the below update site following our NodePit Product and Node Installation Guide:

v5.2

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

Plugin provider: KNIME AG, Zurich, Switzerland

Plugin version: 5.2.0.v202310301555

On NodePit since: 2023-12-06

Last update: 2024-04-22

KNIME versions: Since v4.3

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