Geometrical Descriptors

Manipulator

The Geometrical Descriptors Plugin calculates 3D geometric descriptors for a molecule.

Input Ports

  1. Type: Data
    Input table that contains structure in Structure(Mrv, Sdf, Smiles, etc.) format.

Output Ports

  1. Type: Data
    Output table that contains geometry.

Extension

This node is part of the extension

ChemAxon/Infocom JChem Extensions Feature

v4.0.0

Short Link

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