For molecular modelers who use SAMSON and find themselves limited by off-the-shelf tools, developing a custom extension can be a logical and effective next step. Whether your goal is to integrate a specialized simulation method, automate a workflow, or visualize data from a specific domain in molecular science, SAMSON provides the SDK and infrastructure to do just that.
Why Extend SAMSON?
By developing your own SAMSON Extension, you’re not confined to existing tools. You can tailor functionalities to your scientific needs, whether that means integrating a local force field model, creating a custom visualization type, or linking SAMSON to a cloud service you already maintain.
SAMSON’s open architecture was designed precisely for extensibility. Using the SAMSON SDK, scientists and developers can create a range of modules including:
- Apps: Tools with standalone GUIs or background services
- Editors: Interactive tools for manipulating models through the viewport
- Interaction models: Custom energy and force calculators
- State updaters: Algorithms used during simulations (e.g., molecular dynamics)
- Importers/Exporters: Interfacing with external data formats
Getting Started with the SDK
Starting development begins with downloading the SAMSON SDK from your account on SAMSON Connect. The SDK gives you access to extensive development libraries, as well as pre-defined templates for common module types.
These templates drastically lower setup time and standardize extension structure, making it easier for developers to focus on their core algorithm or interface logic.
Examples of Use Cases
- Create a graphical editor for positioning ligands in a protein pocket with real-time feedback.
- Wrap an existing executable (e.g., a quantum code) and integrate its results visually into the SAMSON viewport.
- Develop a new visual model, for example, a heat map to indicate the RMSD across chains or time frames.
- Interface with remote services or databases for dynamic data imports.
Distribution, Sharing, and Monetization
Once developed, your extension can be officially distributed through SAMSON Connect. This makes your tool available directly from the integrated SAMSON Marketplace.
You can choose to make your extension:
- Completely free, supporting academic collaboration
- Subscription-based, with customizable pricing tiers (e.g., free for academia, paid for industry)
The system uses Stripe to manage subscriptions and provide options for monthly or annual access.
Next Steps
If you’ve never developed with SAMSON before, it’s a good idea to start with a simple extension using a template. From there, the Developer Guide will walk you through packaging, testing, and publishing your module.
For more in-depth instructions and examples, visit the official Extending SAMSON documentation page.
SAMSON and all SAMSON Extensions are free for non-commercial use. You can download SAMSON here.