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Conformers

ChemAxon / InfocomJChemCalculator PluginsConformationStreamable
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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.

Node details

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

Extension

The Conformers node is part of this extension:

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Related workflows & nodes

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