The Entrance#

Welcome to The Entrance, your gateway to mastering MolSysMT. This foundational module introduces the core mission of the library, step-by-step installation instructions, a roadmap for navigating the documentation, a bird’s-eye view of the functional toolbox, and the pre-packaged demo systems available for immediate testing.

Whether you are configuring your environment for the first time or exploring bundled molecular structures to run your first scripts, these 5 units provide everything needed to start working with MolSysMT efficiently.

Contents#

  • What is MolSysMT?
    Learn about the form-agnostic philosophy, mission, and key architectural goals of MolSysMT.

  • Installation
    Step-by-step guide to installing MolSysMT via Conda, Pip, or source with optional dependencies.

  • Navigating the Documentation
    Recommended learning paths and a compass for exploring Foundations, Tools, Cookbook, Showcase, and Course material.

  • Overview of Tools
    An organized map of the functional API toolbox (Basic, Build, Topology, Structure, PBC, etc.).

  • Demo Systems Catalog
    Explore the built-in PDB structures and trajectories bundled with MolSysMT for offline testing.

On this page