This image was created to reproduce the computing environment likely used for the script published in:
Sikkema, H.R., Poolman, B.
In silico method for selecting residue pairs for single-molecule microscopy and spectroscopy.
Sci Rep 11, 5756 (2021). https://doi.org/10.1038/s41598-021-85003-0
Download script from GitHub: https://doi.org/10.5281/zenodo.4446814 or https://github.com/MembraneEnzymology/ResiduePairs .
docker run -it --rm -p 8787:8787 -v "${PWD}":/work jysgro/jupyter:p36_ub1804_prody
The follow instructions on the screen. I usually use the line that starts with
http://127.0.0.1:8787/?token=xxxxxxx where xxxxx is a long "token" for secure encryption.
FROM ubuntu:18.04
# contains python 3.6.9 by default
RUN apt-get update && apt-get install -y software-properties-common gcc g++ && \
add-apt-repository -y ppa:deadsnakes/ppa
# add extra:
RUN apt-get install -y dssp wget python3-dev python3-distutils
RUN apt install libpython3.6-dev
# FROM https://stackoverflow.com/questions/59692797/how-to-fill-user-input-for-interactive-command-for-run-command
# Add non interactive requested with 22.04 but not 1804
ENV DEBIAN_FRONTEND noninteractive
#RUN apt-get update && apt-get install -y python3-distutils && \
# python3-pip python3-apt
RUN wget https://bootstrap.pypa.io/pip/3.6/get-pip.py && \
python3.6 get-pip.py && \
pip3 install --upgrade wheel && \
pip3 install prody==1.11
# Install Jupyter Notebook
RUN pip install jupyter
# To install matplotlib:
RUN apt-get update && apt-get install -y libfreetype6-dev pkg-config &&\
pip3 install matplotlib
# Make port 8888 available to the world outside this container
EXPOSE 8787
# Define environment variable
ENV NAME=World
# Run Jupyter Notebook when the container launches
CMD ["jupyter", "notebook", "--ip=0.0.0.0", "--port=8787", "--no-browser", "--allow-root"]
Content type
Image
Digest
sha256:dcb9c7b75…
Size
424.6 MB
Last updated
over 1 year ago
docker pull jysgro/jupyter:p36_ub1804_prody