One of the more time-consuming challenges in molecular modeling is having to constantly switch between different tools or manually write scripts to bridge gaps between specific needs and the capabilities of existing software. Whether you’re trying to customize a simulation pipeline, wrap legacy code, or develop a new visualization layout — wouldn’t it be ideal to build your own tools inside the environment you’re already working in?
With SAMSON, that’s possible thanks to the modular SAMSON Extension system and the SDK, which together form a powerful way to adapt, customize, and extend your molecular modeling environment.
What is a SAMSON Extension?
A SAMSON Extension is a module that integrates directly into SAMSON. Rather than developing a standalone application, you can build an extension that feels like a native feature. Extensions can be:
- Apps: Provide any kind of general functionality, such as integrating an external tool or service.
- Editors: Customized tools for direct interaction with models (e.g., drawing or transforming structures).
- Importers and Exporters: Enable new file types for reading and writing data.
- Models and interaction models: Let you implement force fields or visual representations.
- State updaters, selectors, commands, and even interactive tutorials.
Why Build an Extension?
Let’s say you’ve developed a novel coarse-grained force field in Python or C++, or you have a custom visualization mode specifically suited for your simulations. Instead of writing conversion scripts or using generic software, you can write a SAMSON Extension that:
- Provides a native-looking interface accessible within SAMSON
- Interacts seamlessly with other SAMSON tools and models
- Can be shared or even monetized via the SAMSON Connect platform
Getting Started
To begin developing an extension, you need to download the SAMSON SDK. You can get it by creating a free account on SAMSON Connect and then visiting the Downloads page. The SDK includes code templates for various extension types and lets you work in C++ for maximum performance.
The SDK takes care of complex background tasks such as visualization, document management, and data handling, so you can focus on what matters most — your method or workflow. The development process is well-documented, and new developers can get productive quickly thanks to the examples and template-based approach.
Deploy Everywhere
Once developed, your extension can be distributed via the SAMSON Connect platform quickly. You can choose whether your extension is free or paid, and even offer subscription tiers for academia or industry. Cloud computing features can also be monetized if needed.
Whether you’re integrating legacy code, building new tools, or customizing your workflows, SAMSON Extensions make it easier to keep everything in one modular, maintainable, and scalable environment.
To learn more, see the full documentation on extending SAMSON.
SAMSON and all SAMSON Extensions are free for non-commercial use. You can download SAMSON here.