RosettaCommons / PyRosetta.notebooks

Jupyter Notebooks for learning the PyRosetta platform for biomolecular structure prediction and design
https://rosettacommons.github.io/PyRosetta.notebooks/
MIT License
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ModuleNotFoundError: No module named 'pyrosetta' #84

Closed skr3178 closed 1 year ago

skr3178 commented 1 year ago
import os
print (os.environ['CONDA_DEFAULT_ENV'])

prot_design !mamba list packages in environment at /home/ubuntu/miniconda3/envs/prot_design:

Name Version Build Channel _libgcc_mutex 0.1 conda_forge conda-forge _openmp_mutex 4.5 2_gnu conda-forge bzip2 1.0.8 h7f98852_4 conda-forge ca-certificates 2022.12.7 ha878542_0 conda-forge environment-kernels 1.2.0 pypi_0 pypi ld_impl_linux-64 2.39 hcc3a1bd_1 conda-forge libffi 3.4.2 h7f98852_5 conda-forge libgcc-ng 12.2.0 h65d4601_19 conda-forge libgomp 12.2.0 h65d4601_19 conda-forge libnsl 2.0.0 h7f98852_0 conda-forge libsqlite 3.40.0 h753d276_0 conda-forge libuuid 2.32.1 h7f98852_1000 conda-forge libzlib 1.2.13 h166bdaf_4 conda-forge ncurses 6.3 h27087fc_1 conda-forge openssl 3.0.7 h0b41bf4_1 conda-forge pip 22.3.1 pyhd8ed1ab_0 conda-forge pyrosetta 2022.49+release.201d7639f91 pypi_0 pypi python 3.9.15 hba424b6_0_cpython conda-forge readline 8.1.2 h0f457ee_0 conda-forge setuptools 65.5.1 pyhd8ed1ab_0 conda-forge tk 8.6.12 h27826a3_0 conda-forge tzdata 2022g h191b570_0 conda-forge wheel 0.38.4 pyhd8ed1ab_0 conda-forge xz 5.2.6 h166bdaf_0 conda-forge

!which conda /home/ubuntu/miniconda3/condabin/conda

!which python /home/ubuntu/miniconda3/envs/prot_design/bin/python

# python -c "import pyrosetta; pyrosetta.init()"
# import pyrosetta
from pyrosetta.rosetta import *

ModuleNotFoundError Traceback (most recent call last) Cell In [6], line 3 1 # python -c "import pyrosetta; pyrosetta.init()" 2 # import pyrosetta ----> 3 from pyrosetta.rosetta import *

ModuleNotFoundError: No module named 'pyrosetta'

skr3178 commented 1 year ago

https://towardsdatascience.com/get-your-conda-environment-to-show-in-jupyter-notebooks-the-easy-way-17010b76e874 Had to add the environment to the jupyter notebook kernel (new-env)$ conda install ipykernel new-env)$ipython kernel install --user --name=new-env