I am learning how to do protein-ligand docking and I am following the Rosetta built-in tutorial: https://www.rosettacommons.org/demos/latest/tutorials/ligand_docking/ligand_docking_tutorial
I did not change anything whatsoever. I used the same tutorial files (as is) and attempted to run the calculation as such:
But i keep getting an ERROR message regarding LigandArea (log file attached).
Has something changed at some point in the Rosetta releases? How to fix this error?
We changed the format for RosettaScripts XML between Rosetta 3.7 and 3.8. The issue is that you have a Rosetta-3.8 style XML, but are attempting to use it with Rosetta 3.7.
I'd recommend using this XML with Rosetta 3.8 (or a recent weekly), or if you do want to use Rosetta 3.7 for some reason, take a look at the demos which came with Rosetta 3.7 for an example of the format of the XML to use.
(If you were going the other way - that is, attempting to use an old XML with a newer Rosetta, I'd tell you to use the conversion script, but we don't have a conversion script to go "backwards" -- you'd have to find some other workaround.)
I compiled rosetta 3.8 and you are right, the script works fine.