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Kortemme-Lab / flex_ddG_tutorial

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error with ddG-backrub.xml #21

Closed ZHeidari closed 1 year ago

ZHeidari commented 2 years ago

After running run_example_1.py I tried to run the following: rosetta_scripts.linuxgccrelease -s 5M2O.pdb -parser:protocol ddG-backrub.xml -parser:script_vars chainstomove=B mutate_resfile_relpath=nataa_mutations.resfile number_backrub_trials=10 max_minimization_iter=5 abs_score_convergence_thresh=200.0 backrub_trajectory_stride=5 -restore_talaris_behavior -in:file:fullatom -ignore_unrecognized_res -ignore_zero_occupancy false -ex1 -ex2

I got the following error: ERROR: Option matching -restore_talaris_behavior not found in command line top-level context

I do not have any idea whst this error means? could you please help me with this.

FYI: I have these files in my current directory: 5M2O.pdb, nataa_mutations.resfile and ddG-backrub.xml.

Thanks

kylebarlow commented 1 year ago

Hi, I am guessing that more recent versions of Rosetta do not have the -restore_talaris_behavior flag. Until the protocol is updated, I'd recommend using an older release version, such as the 2018 version mentioned in the README. I have also updated the README to reflect that newer versions of Rosetta probably will not work.