Dear All,
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:
{PATH_TO_ROSETTA}/main/source/bin/rosetta_scripts.linuxgccrelease @options
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?
| Attachment | Size |
|---|---|
 log.txt | 14.28 KB |
Category:
Post Situation:
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 understand,
I compiled rosetta 3.8 and you are right, the script works fine.
Thanks