PML/PMZ Pharmacophore Writer

The PML/PMZ Pharmacophore Writer node saves an arbitrary amount of pharmacophore models into one or more .pml or .pmz file(s).

Options

Export all pharmacophores to a single file: If selected, all pharmacophores from the input table will be exported to a single output file.
Export each pharmacophore to a separate file: If selected, each pharmacophore from the input table will be exported to a separate output file. These files will be written to the specified output directory. It is possible to modify the file name schema using two placeholders: <PharmacophoreName> and <RowKey>
Separate pharmacophores by Cluster ID: If selected, the node will create a separate output file for each cluster ID that is present in the input table. It is possible to modify the file name schema using the placeholder <ClusterId>

: Table containing pharmacophore model(s) to write to the specified output .pml or .pmz file(s)

This node has no output ports

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To use this node in KNIME, install the extension LigandScout Extensions for the KNIME Workbench from the below update site following our NodePit Product and Node Installation Guide:

v5.3

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

Plugin provider: InteLigand GmbH

Plugin version: 1.9.3

On NodePit since: 2024-07-09

Last update: 2024-11-21

KNIME versions: v5.3, v5.2, v5.1, v4.7, v4.6, v4.5, v4.4, v4.3, v4.2, v4.1, v4.0

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