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foldtree colab error when running test example #36

@camillaln

Description

@camillaln

Hi,
I tried running the test example in colab, but I am getting an error:

bash: line 16: foldtree: command not found

CalledProcessError Traceback (most recent call last)
/tmp/ipykernel_3319/3252851629.py in <cell line: 0>()
----> 1 get_ipython().run_cell_magic('bash', '-s $jobname $input_type', 'JOBNAME=$1\nINPUT_TYPE=$2\nSUFFIX=""\nif [[ $INPUT_TYPE = "custom" ]]; then\n mkdir -p "${JOBNAME}/structs"\n mv "${JOBNAME}/".pdb "${JOBNAME}/".cif "${JOBNAME}/structs"\n SUFFIX="--custom-structs"\nfi\n\n# Ensure mamba is initialized\nexport PATH="/opt/conda/bin:$PATH"\neval "$(mamba shell hook --shell bash)"\n\nmamba activate foldtree\n\nfoldtree --folder "${JOBNAME}" --no-filter --cores $(nproc --all) $SUFFIX -p -esa "--conda-frontend conda"\n')

4 frames
in shebang(self, line, cell)

/usr/local/lib/python3.12/dist-packages/IPython/core/magics/script.py in shebang(self, line, cell)
243 sys.stderr.flush()
244 if args.raise_error and p.returncode!=0:
--> 245 raise CalledProcessError(p.returncode, cell, output=out, stderr=err)
246
247 def _run_script(self, p, cell, to_close):

CalledProcessError: Command 'b'JOBNAME=$1\nINPUT_TYPE=$2\nSUFFIX=""\nif [[ $INPUT_TYPE = "custom" ]]; then\n mkdir -p "${JOBNAME}/structs"\n mv "${JOBNAME}/".pdb "${JOBNAME}/".cif "${JOBNAME}/structs"\n SUFFIX="--custom-structs"\nfi\n\n# Ensure mamba is initialized\nexport PATH="/opt/conda/bin:$PATH"\neval "$(mamba shell hook --shell bash)"\n\nmamba activate foldtree\n\nfoldtree --folder "${JOBNAME}" --no-filter --cores $(nproc --all) $SUFFIX -p -esa "--conda-frontend conda"\n'' returned non-zero exit status 127.

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