Error during Rosetta minimization

[BCornelsen]

Hey,

I get the following error during the FinalMinimizer step of rosetta.
protocols.ligand_docking.ligand_options.MinimizeBackbone: [ WARNING ] for backbone minimization to work properly, a stretch of at least 4 residues needs to be allowed to move. Stretch between 116 and 117 is too short. This should never happen after extending the interface
The program getting stucked in a loop, printing this warning.

The error appears on multiple complexes. In addition, appears randomly, but not rarely.
The example error message above I got by 2hl4. Here is the complex file generated by RosENET: 2hl4_complex.zip

Which Rosetta version did you use? Maybe a version incompatibility is the problem.
The flags_relax.txt and dock_relax.txt have not been changed.

The error can be reproduced by following command and files:
/home/bcornelsen/raid/rosenet/rosetta_bin_linux_2020.08.61146_bundle/main/source/bin/rosetta_scripts.static.linuxgccrelease "@/home/bcornelsen/raid/rosenet/refined_set/2hl4/flags_relax.txt" -parser:protocol /home/bcornelsen/raid/rosenet/RosENet/static/dock_relax.xml -database /home/bcornelsen/raid/rosenet/rosetta_bin_linux_2020.08.61146_bundle/main/database/
2hl4.zip

I use Rosetta version 2020.08.61146

Thanks for help,
Bastian

[BCornelsen]

This error has also been mentioned in #6

[hhassan1]

Hi @BCornelsen ,

Unfortunately, I cannot help much regarding this issue. I experienced the same warnings during the development of the project. My way to resolve it was to disable the output completely (the Roseta minimization does finish successfully after a while, but the output slows down the software considerably).

[rebirthjin]

@hhassan1

Hi! I get the same issue for training a new dataset. So how do I disable the output for error message of rosetta?
Thanks for help!