Hi all,
I am running a big membrane ab initio calculation and clustering right now. So far everything ran well, and clustering gave me good results.
Now I want to remodel the best cluster into a full structure with amino acid side chains and so on. So I'm searching for an application in Rosetta, that can generate a full structure out of the low-resolution centroid models? As far as I know the original ab initio application switches between centroid modeling and refinement, so it should be possible to complete this task.
thanks a lot,
akfried
Post Situation:
I believe the relax executable is used for this purpose.
The manual indeed states that it can read centroid models. Thank you!
hi akfried, could you please go through with me the steps you used for your membrane ab initio calculation and clustering? i have a 97aa membrane protein that i want to perform membrane ab-initio on.
your help is greatly appreciated.
thanks.