I need a free software to perform a conformational search on molecules with 10 to 16 rotational bonds. What software would you recommend me? Where can I download it? Where can I find a manual of this software?

  • 3
    $\begingroup$ It is easy to generate the conformations, and hard to evaluate them by some measure. What property of the conformation are you trying to optimize? $\endgroup$ – Karsten Theis Apr 23 at 20:54
  • $\begingroup$ While not free Spartan is very good and I think worth the price $\endgroup$ – Charlie Crown Apr 30 at 7:49
  • $\begingroup$ Avogadro, Openbabel, RDKit $\endgroup$ – Anon Jun 17 at 7:17

Your Answer

By clicking “Post Your Answer”, you agree to our terms of service, privacy policy and cookie policy

Browse other questions tagged or ask your own question.