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Generate 2D Coordinates

Community Nodes Indigo 2 Manipulators
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This node (re)computes atom coordinates

Supported types:

  • Molecule: String, SDF, Smiles, CML, Mol, InChI
  • Reaction: String, RXN, SMILES

The node is based on the Indigo cheminformatics toolkit.

Node details

Input ports
  1. Type: Table
    In-Port name
    Table containing molecule or reaction structures.
Output ports
  1. Type: Table
    Out-Port name
    Chemical entity with 2D coordinates.

Extension

The Generate 2D Coordinates node is part of this extension:

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