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Atom Replacer

Community Nodes Indigo 2 Manipulators
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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.

Node details

Input ports
  1. Type: Table
    Input structures
    Table containing molecule's or reaction's structures as strings or as Indigo objects.
Output ports
  1. Type: Table
    Structures with replaced atom labels
    The same as input, with replaced atom labels

Extension

The Atom Replacer node is part of this extension:

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