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PML/PMZ Pharmacophore Writer

LigandScout Extensions for the KNIME Workbench version 1.7.9 by InteLigand GmbH

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

Options

Settings

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>

Input Ports

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

Best Friends (Incoming)

Best Friends (Outgoing)

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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