Hi Rosetta guys:)
Question about seemingly odd behaviour going from local rosetta run (rosetta_2014.16.56682_bundle) to mpi (2014.20.56383.mpi) and of course a slightly newer version of Rosetta3.5 though both are 3.5.
My normal docking scripts contains the flag
this script runs smoothly.
When running on mpi I can do regular docking, but when introducing this flag (need it for SAXS runs), rosetta tells me that there is no such command on the top level.
I have tried to google it, and realizing there is a different place called -chemical:patch_selectors CENTROID_HA.
Does this mean that my friend CENTROID_HA has moved to a new home in the new version or is this something different?
First off, neither rosetta_2014.16.56682 nor 2014.20.56383 are “Rosetta3.5” – they’re both weekly releases, which are different from 3.5. (There’s more difference between a weekly release and Rosetta 3.5 than there is between Rosetta 3.5 and Rosetta 3.4.)