Unsolved

Hello,

I am planning to do four different docking (with 200  structures for one of the partner to capture backbone flexibility) with at least nstruct=500. I need to run it by usening several nodes and processors in our cluster.  I tried to compile MPI  in our cluster, but I got an error attached to this post. Could you please guide me how I can solve the error?

Hi folks,

I wonder if there is a way to constrain the number of maximal allowed mutations from the input sequence when doing a regular backbone-fixed design or a backbone-flexible design. For example, I only want the designed sequences away from the wild-type sequence by 5 residues at most (i.e. including 5, 4, 3, 2, and 1 mutations). Many thanks!

Kurt

Hello,

I want to do a simple scoring of some docking solutions. My flags are:

-in:file:l list.txt
-score:weights docking
-out:file:scorefile scoring/score_docking.sc

... but I get this error:

[ ERROR ]: Caught exception:

Hello,

I am docking a peptide in a receptor with PIPER using the steps in https://www.rosettacommons.org/docs/latest/application_documentation/docking/flex-pep-dock.

The step 2.III of the PIPER-FlexPepDock protocol uses the apply_ftresult.py script which is not present in the source. Where can I get this script or an equivalent?