Atom Replacer

Manipulator

This node discards all the labels on structure's atoms and replaces them with the given label. It also discards all stereochemistry from structures.

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's or reaction's structures as strings or as Indigo objects.

Output Ports

  1. Type: Data The same as input, with replaced atom labels

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