CDK to Molecule

Manipulator

Converts the CDK molecules in one of the input table's columns into various string representations (SDF, Mol2, Smiles, CML).

This node uses CDK classes to parse and display structures.

Input Ports

  1. Type: Data Table containing CDK molecules

Output Ports

  1. Type: Data Table with the molecules' converted string representations

Find here

Community Nodes > CDK > I/O

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