mBuild: a hierarchical, component based molecule builder
Contained in this repository are a series of tutorials to introduce new users to the mBuild package for constructing molecular systems. The user is referred to mBuild's documentation for installation instructions.
The tutorials contained within this repository will work with both the latest mBuild release as well as the development version. However, at this time, the user is strongly encouraged to use the development version of the software, as signficant updates to molecular visualization within the notebooks have been made. These changes will be reflected in an upcoming mBuild release at which time this message will be removed.
How do I run these tutorials?
The mBuild tutorials can be completed in two ways:
Creating the proper Python environment (the user is again referred to mBuild's installation instructions), cloning this repository, and launching a local Jupyter notebook server with
Using our Binder link, where a Jupyter notebook server will be launched in the cloud with the proper Python environment pre-configured.