anchor.diff:  
   #install rdkit for both python3 and python2
   # consider pinning rdkit with version: rdkit=2016.09.4
  -RUN /opt/conda/bin/conda install -c https://conda.anaconda.org/rdkit rdkit -y --quiet
  -RUN /opt/conda/bin/conda install -n python2 -c https://conda.anaconda.org/rdkit rdkit -y --quiet
  +# RUN /opt/conda/bin/conda install -c https://conda.anaconda.org/rdkit rdkit -y --quiet
  +RUN /opt/conda/bin/conda install -n python2 -c rdkit rdkit -y --quiet
   
   # Add shortcuts to distinguish pip for python2 and python3 envs
   RUN ln -s $CONDA_DIR/envs/python2/bin/pip $CONDA_DIR/bin/pip2 && \
       ln -s $CONDA_DIR/bin/pip $CONDA_DIR/bin/pip3
   
   
  -RUN git clone https://github.com/biorack/metatlas.git && \
  -    cd /home/jovyan/work/metatlas/ && \
  -    pip2 install . --ignore-installed && \
  -    pip3 install . --ignore-installed
  -
  -RUN git clone https://github.com/quantopian/qgrid && \
  -    cd /home/jovyan/work/qgrid/ && \
  +RUN cd /home/metatlas/repos/ && \
  +    git clone https://github.com/biorack/metatlas.git && \
  +    cd /home/metatlas/repos/metatlas/ && \
  +    # pip3 install . --ignore-installed && \
  +    pip2 install . --ignore-installed
  +
  +RUN cd /home/metatlas/repos/ && \
  +    git clone https://github.com/quantopian/qgrid && \
  +    cd /home/metatlas/repos/qgrid/ && \
       pip2 install . --ignore-installed --quiet && \
  -    pip3 install . --ignore-installed && \
  +    # pip3 install . --ignore-installed && \
       pip2 install pyteomics --ignore-installed --quiet && \
  -    pip3 install pyteomics --ignore-installed --quiet && \
  +    # pip3 install pyteomics --ignore-installed --quiet && \
       pip2 install pyimzml --ignore-installed --quiet && \
  -    pip3 install pyimzml --ignore-installed --quiet && \
  -    pip2 install lxml --ignore-installed --quiet && \
  -    pip3 install lxml --ignore-installed --quiet
  -
  -RUN git clone https://github.com/biorack/BASTet.git
  +    # pip3 install pyimzml --ignore-installed --quiet && \
  +    pip2 install lxml --ignore-installed --quiet
  +    # pip3 install lxml --ignore-installed --quiet
  +
  +RUN cd /home/metatlas/repos/ && \
  +    git clone https://github.com/biorack/BASTet.git
       
  -RUN git clone https://github.com/biorack/pactolus.git
  +RUN cd /home/metatlas/repos/ && \
  +    git clone https://github.com/biorack/pactolus.git
   
       
   
   # Import matplotlib the first time to build the font cache.
   ENV XDG_CACHE_HOME /home/$NB_USER/.cache/
  -RUN MPLBACKEND=Agg $CONDA_DIR/envs/python2/bin/python -c "import matplotlib.pyplot"
  +# RUN MPLBACKEND=Agg $CONDA_DIR/envs/python2/bin/python -c "import matplotlib.pyplot"
   
   # Configure ipython kernel to use matplotlib inline backend by default
   # RUN mkdir -p $HOME/.ipython/profile_default/startup
  
positive.code: USER root
  
  EXPOSE 8888
  WORKDIR /home/$NB_USER/work
  
  # Configure container startup
  ENTRYPOINT ["tini", "--"]
  #CMD ["start-notebook.sh"]
  
  # Add local files as late as possible to avoid cache busting
  
negative.code: # Configure environment
  ENV CONDA_DIR /opt/conda
  ENV PATH $CONDA_DIR/bin:$PATH
  ENV PYTHONPATH $PYTHONPATH:/home/metatlas/repos/BASTet
  ENV PYTHONPATH $PYTHONPATH:/home/metatlas/repos/pactolus
  ENV SHELL /bin/bash
  ENV NB_USER metatlas
  ENV NB_UID 1000
  ENV HOME /home/$NB_USER
  ENV LC_ALL en_US.UTF-8
  ENV LANG en_US.UTF-8
  ENV LANGUAGE en_US.UTF-8
  
  # Create metatlas user with UID=1000 and in the 'users' group
  RUN useradd -m -s /bin/bash -N -u $NB_UID $NB_USER && \
      mkdir -p $CONDA_DIR && \
      chown $NB_USER $CONDA_DIR
  
  USER $NB_USER
  
  # Setup metatlas home directory
  RUN mkdir /home/$NB_USER/repos && \
      mkdir /home/$NB_USER/.jupyter && \
      echo "cacert=/etc/ssl/certs/ca-certificates.crt" > /home/$NB_USER/.curlrc
  
  # Install conda as metatlas
  RUN cd /tmp && \
      mkdir -p $CONDA_DIR && \
      wget --quiet https://repo.continuum.io/miniconda/Miniconda3-4.2.12-Linux-x86_64.sh && \
  