Conformers

Manipulator

Conformational isomerism is a form of isomerism that describes the phenomenon of molecules with the same structural formula having different 3D structure. Conformations are transformed into each other by rotations along rotatable bonds. Different conformations might have different energies and they are very rarely able to be isolated in a laboratory. The Conformer Plugin generates a selected number of conformers or the lowest energy conformer of 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 conformer structure.

Extension

This node is part of the extension

ChemAxon/Infocom JChem Extensions Feature

v4.0.0

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