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Smiles Directory Writer

KNIME Chemistry Base nodes version 4.3.0.v202011191214 by KNIME AG, Zurich, Switzerland

This nodes writes molecules from a Smiles column into separate files into a directory. The Row IDs are used as file names.
Note that if the destination location is a remote URL not all options are available because in general it's not possible to determine whether the remote location exists. In this case it will always be overwritten.

Options

Directory
The directory into which the Smiles files should be written. The directory must already exist. You can also specify remote URLs, in this case the final destination URLs are built by directly appending the file name to this base URL.
Structure column
Select the column containing the Smiles structures here.
Overwrite existing files
If selected, existing files are overwritten, if unselected, the node fails if a file already exists.

Input Ports

Icon
A table with at least a Smiles column

Best Friends (Incoming)

Best Friends (Outgoing)

Installation

To use this node in KNIME, install KNIME Base Chemistry Types & Nodes from the following update site:

KNIME 4.3

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

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Developers

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