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pyRosetta not found for Fold conditioning design

Open 363892878a opened this issue 1 year ago • 3 comments

Hello all

I was trying to do a little design using the fold conditioning, yet when I was trying to run, an error came up stating" WARNING: pyRosetta not found, will use an approximate SSE calculation" .

Should I install the pyRosetta somewhere else ?

363892878a avatar May 14 '24 05:05 363892878a

./make_secstruc_adj.py --input_pdb /storage/xxx/RFdiffusion/trailinput/5kta.pdb --out_dir /storage/xxx/RFdiffusion/trial

This is what I entered

363892878a avatar May 14 '24 05:05 363892878a

any answer to this question ? got the same issue

nfloquet avatar Oct 02 '24 06:10 nfloquet

You don't need to install pyrosetta for the make_secstruc_adj.py script to work, but it's likely going to give you better results.

See the download page for how to obtain PyRosetta. PyRosetta is free for non-commercial use (and no longer needs a separate license signup process), and can be installed with Conda ( conda install -c https://conda.rosettacommons.org pyrosetta) or with pip (python -m pip install pyrosetta-installer; python -c 'import pyrosetta_installer; pyrosetta_installer.install_pyrosetta()'), using the same python/conda environment you're using for the scripts. (e.g. the SE3nv environment).

roccomoretti avatar Oct 09 '24 12:10 roccomoretti