You want conformers? I'll give you conformers!

Contents

  1. You want conformers? I'll give you conformers!
  2. Goal of a Conformer Search Program
  3. Goal of a Conformer Search Program
  4. Comparison of Versions
  5. Omega Algorithm
  6. Symmetry Condoms
  7. Clean Force Field Deficiencies
  8. Comparison of Force Fields
  9. Dissect Molecule into 5 Rotor (+rings) Fragments
  10. Build Order
  11. Beam Search (old)
  12. DFS Assembly of Fragments (new)
  13. Omega Algorithm
  14. Unnamed
  15. Parameters
  16. Acknowledgments