i like this post (click again to cancel)
0
i dont like this post (click again to cancel) remove favorite mark from this question (click again to restore mark)

I had two problems like this one recently:

  • have protein (in solution) of known general structure
  • resonance assignments are not known

or

  • bound ligand strongly perturbs resonances which need re-assignment

Are there algorithmic approaches to (re-)assign resonances in such situation? Are there software packages that can help out?

Thanks!

asked Apr 21 '10 at 02:44

Evgeny%20Fadeev's gravatar image

Evgeny Fadeev
5571

updated Apr 22 '10 at 00:29


One Answer:
i like this answer (click again to cancel)
1
i dont like this answer (click again to cancel)

You can try MARS and PALES software for this task.

link

answered Apr 25 '10 at 01:17

Aleksandr%20Yakimov's gravatar image

Aleksandr Yakimov
11

Thanks! Maybe its worthwhile to note that MARS and PALES use RDC together with known structure to solve the problem. - Evgeny Fadeev (Apr 25 '10 at 06:45)

Your answer
Please start posting your answer anonymously - your answer will be saved within the current session and published after you log in or create a new account. Please try to give a good answer, for discussions, please use comments and please do remember to vote (login to vote)
toggle preview

powered by CNPROG