Generate 2D Coordinates

Manipulator

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.

Input Ports

  1. Type: Data Table containing molecule or reaction structures.

Output Ports

  1. Type: Data Chemical entity with 2D coordinates.

Find here

Community Nodes > Indigo 2 > Manipulators

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