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

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>

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