Molecule Type Cast

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.

Options

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

Input Ports

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Table containing structure information as strings.

Output Ports

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Table with replaced column holding specific molecular type.

Views

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Workflows

Further Links

Developers

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