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 Reader
This node reads Molfiles (*.mol) from a directory and creates a row for each file. The row ID is either
taken from the file name or extracted from the molecule itself. The node can also read gzipped files ending
with *.mol.gz.
Dialog Options
- Directory
- The directory in which the Molfiles are
- Use molecule name as row ID
-
If selected, the row ID will be the same as the molecules' titles. You have to ensure, that the titles are
unique, otherwise the node will fail. If unchecked, the row ID is extracted from the file names (the part
before the file type suffix).
- Extract molecule name
-
If selected, the molecules' names are put into a column called 'Molecule name' in the output table.
This option can be used together with the previous one.
- Output column name
-
Enter the name of the column containing the molecules in the output table.
Ports
Output Ports
0 |
Table with the read molecules |
This node is contained in KNIME Chemistry Base nodes
provided by KNIME GmbH, Konstanz, Germany.