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String to Molecule

Erlwood Knime Open Source Cheminformatics version 3.3.0.v201701271213 by Erlwood

Attempts to convert String compatible column to a Marvin cell. Supported file/column formats include any of the following stored as String (SDF, Smiles, InCHI etc.) but not Chime. The output can either be appended as a new column or can replace the original string column.

Options

Source Column
Use the drop-down list to select the column that you want to convert.
Name of the new column
Type a name for the newly created column.
Output
Select whether to append a new column to the input data table or the replace the original column.

Input Ports

Please provide an input which contains at least one string-compatible column.

Output Ports

The output of the node. A new column containing Marvin Molecule objects is either appended or has replaced the source column. The rest of the input table is not modified.

Views

Structures
View the converted chemical structures with MarvinView.

Best Friends (Incoming)

Best Friends (Outgoing)

Update Site

To use this node in KNIME, install Erlwood Knime Open Source Cheminformatics from the following update site:

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