Update Dockerfile

Dockerfile

@@ -6,7 +6,7 @@ COPY . .
 RUN apt-get update
 RUN apt-get -y install gcc
 RUN conda install -y -c conda-forge  -c openbabel rdkit  openbabel
-RUN pip install mdtraj cython
+RUN pip install mdtraj cython ipython
 RUN pip install git+https://github.com/bowman-lab/enspara
 RUN pip install biopython
 RUN pip install pdb-tools