The new generation molecular viewer for IPython notebook
Jupyter Notebook Python JavaScript HTML Shell

README.md

chemview

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Version: 0.7

The new generation molecular viewer for the IPython notebook.

Installation

Installing chemview with conda is fairly easy. First download anaconda (or miniconda):

http://continuum.io/downloads

To install chemview using conda you can first create an environment (optional):

$ conda create -p /path/to/new/environment python
$ source activate /path/to/new/environment

then, you can install chemview directly from the binstar channel.

$ conda install -c gabrielelanaro chemview

or, for the development version you can manually install the dependencies:

pip install jupyter notebook numba numpy matplotlib

# Download and install chemview
git clone https://github.com/gabrielelanaro/chemview
cd chemview
pip install .

The new jupyter also requires you to install the widget manually:

jupyter nbextension enable widgetsnbextension --user --py
jupyter nbextension install --user --py --symlink chemview
jupyter nbextension enable --user --py  chemview

Ready to go!

At this point you are ready to go!

$ jupyter notebook

You can try chemview on the test notebooks present in this distribution or head to the documentation http://chemview.readthedocs.org

Credits

Many thanks to the project contributors:

  • Tristan Mackenzie
  • James Kermode