Debian where OpenBabel and Jupyter notebook installed
99
c.NotebookApp.allow_root = True
c.NotebookApp.ip = '*'
c.NotebookApp.open_browser = False
c.NotebookApp.notebook_dir = '/notebook'
c.NotebookApp.token = 'pass'
sudo docker build -t sin1/pybel .
sudo docker run -itd -v "/notebook:/notebook" -p "8889:8888" --name babel sin1/pybel
| Software component | version |
|---|---|
| jupyter | 4.3.0 |
| python2 | 2.7.13 |
| moldesign | 0.7.0 |
| openbabel | 4.0.2 |
| GNU Compiler Collection | 6.3.0 |
import nbmolviz
import pybel
mol = pybel.readstring( "smi","C1=NC2=C(N1)C(=NC=N2)N" )
mol.make3D()
nbmolviz.visualize(mol)
Content type
Image
Digest
Size
474 MB
Last updated
about 9 years ago
docker pull sin1/pybel