Getting Started

Molecular Dynamics Analysis with N-ary Clustering Ensembles (MDANCE) is a flexible n-ary clustering package that provides a set of tools for clustering Molecular Dynamics trajectories.

Installation

$ pip install mdance

To check for proper installation, run the following command:

>>> import mdance
>>> mdance.__version__

Usage

To use MDANCE in a project, take a look at Learn NANI in 60 seconds and NANI Tutorial.