anchor.diff:   libsqlite3-dev\
    libboost-dev\
    libboost-python-dev\
  + libboost-system-dev\
  + libboost-thread-dev\
  + libboost-serialization-dev\
    libboost-regex-dev\
    swig2.0\
    git\
    openjdk-8-jdk\
  - curl
  + curl 
   
   ENV RDKIT_BRANCH=master
   RUN git clone -b $RDKIT_BRANCH --single-branch https://github.com/rdkit/rdkit.git
  
positive.code: 
  RUN mkdir $RDBASE/build
  WORKDIR $RDBASE/build
  RUN cmake -D RDK_BUILD_SWIG_WRAPPERS=ON .. 
  RUN make
  RUN make install
  
  ENV LD_LIBRARY_PATH=$LD_LIBRARY_PATH:$RDBASE/lib:/rdkit/lib:$RDBASE/Code/JavaWrappers/gmwrapper
  ENV PYTHONPATH=$PYTHONPATH:$RDBASE
  ENV CLASSPATH=$RDBASE/Code/JavaWrappers/gmwrapper/org.RDKit.jar
  
  
negative.code: # WARNING this takes about an hour to build
  
  RUN apt-get update && apt-get install -y \
   build-essential\
   python-numpy\
   cmake\
  