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chemview

Join the chat at https://gitter.im/gabrielelanaro/chemview

Documentation Status Build Status

Version: 0.7

The new generation molecular viewer for the IPython notebook.

Project Status

chemview is not being maintained anymore. If you would like to adopt the project, let me know in an email!

As an alternative project, I recommend nglview https://github.com/arose/nglview

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