OpenBabel

This node uses OpenBabel for converting molecules between many different formats. You can either use the bundled version or specify the path to a local installation.

Options

Use bundled babel executable

If you want to use the babel executable bundled with KNIME instead of a manually installed version, check this option. Note that the bundled OpenBabel is not available on Mac.

Path to babel executable

Specify the path to the babel executable here. This option is only used when the bundled babel executable is not selected.

Column with molecules

The column in the input data table that contains the molecules.

Molecule input format

The input format of the molecules.

Molecule output format

The output format of the molecules.

Optional parameters

Optional parameters that are passed to the OpenBabel executable.

Output column

Choose how to handle the output molecule column.

• Replace: Replace the source molecule column by the new column with the converted molecules.
• Append: Append a new column with the converted molecules.

Appended column name

The name of the new column that will be appended to the output table.

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Workflows

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• Show all 19 workflows

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