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3D-Konformergenerator

Generieren und visualisieren Sie 3D-Molekülkonformationen aus der SMILES-Notation. Dieses Tool hilft Ihnen, verschiedene mögliche 3D-Anordnungen Ihrer Moleküle zu erkunden.

Geben Sie die SMILES-Notation des Moleküls ein. Beispiele:
  • CC(=O)O: Essigsäure
  • c1ccccc1: Benzol
  • CC(OH)=O: Essigsäure (alternative)
  • CCO: Ethanol

Method, source and limitations

Method version: rdkit-conformer-2.0
Calculation method
Seeded 3D embedding followed by MMFF94s optimization, with UFF fallback.
Data source
RDKit distance geometry and force fields.
Assumptions and limitations
Generated conformers are computational candidates, not experimental geometries or binding poses.
Verification example
Generate several conformers and compare only energies produced by the same force field.

Educational Model · Last validated: 2026-07-28

Result guidance

How does this tool calculate the result?

Seeded 3D embedding followed by MMFF94s optimization, with UFF fallback.

How should I interpret the result?

Generated conformers are computational candidates, not experimental geometries or binding poses.

How can I verify the result?

Generate several conformers and compare only energies produced by the same force field.