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XLS Writer

LigandScout Extensions for the KNIME Workbench version 1.7.9 by InteLigand GmbH

The XLS Writer node saves molecules and their properties as Excel tables. The molecule structure is saved as SMILES or SDF.

Options

Settings

Output Filename
Path to the output XLS-file.
Structure column
Column from the input table to be treated as molecule structure.
(Default: First column with a supported molecule structure type)
Use column as molecule title
Column from the input table to be used as molecule name in the output table.
(Default: "Name" or "Drug Name" depending on the input table. "Row ID" if no such column is available.)
Export 3D coordinates if available
If selected and if the input table contains 3D molecules, the node will output molecules in SDF format. Please note that this may cause undesired behavior in spreadsheet applications.
(Default: false)

Input Ports

Icon
Table containing the molecule(s) to write to the specified output XLS-file

Best Friends (Incoming)

Installation

To use this node in KNIME, install LigandScout Extensions for the KNIME Workbench from the following update site:

KNIME 4.3

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Developers

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