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NodeNode / Manipulator

Molecule Type Cast

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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.

Node details

Input ports
  1. Type: Table
    Input column
    Table containing structure information as strings.
Output ports
  1. Type: Table
    Wrapped output
    Table with replaced column holding specific molecular type.

Extension

The Molecule Type Cast node is part of this extension:

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