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Molecule Type Cast

StreamableKNIME Chemistry Base nodes version 4.3.0.v202011191214 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)



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A zipped version of the software site can be downloaded here.

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