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SCIGRESS - Computational Tools - CONFLEX

CONFLEX generates low-energy conformers of a molecule of any shape and incorporates several unique strategies to complete a conformational space search:

  • Down-stream/reservoir-filling.
  • A variable search limit.
  • Three modes of perturbation (unique corner flap, edge flip, and stepwise rotation).
  • Pre-check.

Use CONFLEX to compute:

  • Optimum geometry.
  • Conformations.
  • Potential energy maps.