Update Dockerfile

Dockerfile

@@ -9,6 +9,8 @@ RUN conda install -y -c conda-forge  -c openbabel rdkit  openbabel
 RUN pip install mdtraj cython
 RUN pip install git+https://github.com/bowman-lab/enspara
 RUN pip install biopython
+RUN pip install pdb-tools
+RUN pip install gradio
 RUN wget https://sourceforge.net/projects/smina/files/smina.static/download -O smina.static
 RUN chmod u+x smina.static
 EXPOSE 7860