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.

Molfile Writer

This nodes writes molecules from a Mol column into separate files into a directory. The files may optionally be compressed with gzip.

Dialog Options

Directory
The directory into which the Molfiles should be written. The directory must already exist.
Use molecule title as file name
If selected, the molecules' titles are used as file names. You have to make sure, that the titles are unique. Otherwise files may be overwritten or the node fails, depending on the "Overwrite existing files" option. If unselected, the row ID is used as file name.
Structure column
Select the column containing the Mol structures here.
Overwrite existing files
If selected, existing files are overwritten, if unselected, the node fails if a file already exists.
Compress files
If selected, the output files will be compressed with gzip.

Ports

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