The following node is available in the Open Source KNIME predictive analytics and data mining platform version 2.7.1. Discover over 1000 other nodes, as well as enterprise functionality at http://knime.com.

Smiles Directory Writer

This nodes writes molecules from a Smiles column into separate files into a directory. The Row IDs are used as file names.

Dialog Options

Directory
The directory into which the Smiles files should be written. The directory must already exist.
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.

Ports

Input Ports
0 A table with at least a Smiles column
This node is contained in KNIME Chemistry Base nodes provided by KNIME GmbH, Konstanz, Germany.