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.

Mol2 Writer

Writes the molecules represented by Mol2 cells in one column to an Mol2 file. The input needs to contain at least one column containing structures.

Dialog Options

Output file location
The destination file.
Overwrite OK
If unchecked, the node refuses to execute when the output file exists (prevent unintentional overwrite).
Mol2 structure column
The column that contains the Mol2 molecule.

Ports

Input Ports
0 Table, from which one structure column is written to an Mol2 file
This node is contained in KNIME Chemistry Base nodes provided by KNIME GmbH, Konstanz, Germany.