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Molecule Type Cast

StreamableKNIME Chemistry Base nodes version 4.0.0.v201905312221 by KNIME AG, Zurich, Switzerland

Node that converts all cells of a chosen string column into several one of several molecule types, such as Mol2, PDB, SDF, CML, HELM, SLN, Smiles, Smarts, or Rxn. This node does no syntactic or other validation of the structure itself.

This node will replace the column from the input table.


Structure Column
Selects the input column containing the molecule strings.
Structure Type
Selects the molecule type of the strings.

Input Ports

Table containing structure information as strings.

Output Ports

Table with replaced column holding specific molecular type.

Best Friends (Incoming)

Best Friends (Outgoing)



To use this node in KNIME, install KNIME Chemistry Base nodes from the following update site:

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