Guided Example: Building an RMSF analysis Kit
In this section, we provide a guided example for creating an MDAKit using the MDAKit cookiecutter. A video walk-through of this tutorial is available on YouTube:
We will create a kit for RMSF analysis, replicating the functionality of the RMSF analysis class in the core library.
First, let’s refresh ourselves on the requirements for a ‘registerable’ kit. In brief:
MDAKit requirements
Uses MDAnalysis
Open source + OSI license
Versioned + on a version-controlled repository
Designated authors and maintainers
(At least) minimal documentation
(At least) minimal regression tests
Installable as a standard package
(Recommended) community information available
(Recommended) available on a package distribution platform
Below are the steps we’ll go through to create our MDAKit. We’ll check back in after each part to see how we’re progressing through these requirements!
Steps for creating an MDAKit from the cookiecutter