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.