Molecular modelers often face the challenge of adapting software platforms to their unique workflows. Whether it’s visualizing molecular structures, performing simulations, or analyzing results, the need for customization can be a significant pain point. This is where SAMSON Extensions come into play. With SAMSON’s open architecture, you can tailor your experience by integrating various ready-made modules from the SAMSON Connect website.
What Are SAMSON Extensions?
SAMSON Extensions are modular tools that add specific functionalities to the SAMSON platform. They fall into several categories, such as:
- Apps: These can provide entirely new functions. An app could, for instance, connect SAMSON to an external executable or integrate previously developed code.
- Editors: Essential tools for user interaction, allowing you to manipulate molecular structures directly in the viewport. Think of tools like rectangle selectors, nanotube generators, and deformation mechanisms.
- Importers and Exporters: Simplify parsing and generating files, including formats like PDB, XYZ, or electron density files.
- Visual Models: Enable advanced visualizations, such as molecular secondary structures or isosurfaces of electron densities.
- Interaction Models: Responsible for computing energies and forces to perform modeling and simulation tasks.
- State Updaters: Critical for simulations, incorporating methods for minimization, Monte Carlo simulations, and molecular dynamics.
Why Should Molecular Modelers Care?
The modularity of SAMSON Extensions allows you to solve modeling problems more efficiently. For example, if you need a specific visualization capability, you don’t need to build a solution from scratch. There’s likely an extension already available for download from the SAMSON Connect Marketplace.
SAMSON’s extensions can also act as bridges to other tools or methodologies, reducing the friction of integrating external tools or algorithms into your modeling pipeline. For instance, using a dedicated app to connect SAMSON to other molecular mechanics software can streamline your workflow and save time.
How to Get Started
The first time you start SAMSON, it will automatically download a set of default extensions. If you’d like to add or remove extensions later:
- Sign in to your SAMSON Connect account.
- Visit the SAMSON Connect Marketplace.
- Select the extensions you need to tailor SAMSON to your requirements.
Create Your Own Extensions
If you’re looking for a truly customized solution, you can develop your own SAMSON Extensions using the SAMSON SDK. The SDK enables you to create apps, editors, force fields, and more, helping you integrate new features or workflows seamlessly. To get started, download the SDK from your SAMSON Connect account and refer to the Developer Guide.
Conclusion
SAMSON Extensions can be game-changing for those in molecular modeling. From simplifying workflows to facilitating simulations and visualization tasks, extensions empower users to adapt SAMSON to their exact needs without compromising performance or usability.
To dive deeper into how you can extend SAMSON and fully leverage its capabilities, visit the official SAMSON Extending Documentation.
Note: SAMSON and all SAMSON Extensions are free for non-commercial use. You can get your free copy of SAMSON at SAMSON Connect.