In the fast-paced world of molecular modeling, scientists often develop custom software tools tailored to specific problems: a unique scoring function, a specialized simulation routine, a visualization script, or an interface to a proprietary database. While these tools are important, integrating them effectively into a broader modeling and simulation platform can be challenging.
SAMSON, the integrative molecular design platform, makes this integration straightforward through its app extension system. If you’ve been struggling to connect your existing codebase to an interactive modeling platform without starting from scratch, this might be the bridge you were looking for.
What is a SAMSON App?
SAMSON Extensions can be many things—editors, models, visual elements—but apps are particularly suited for wrapping and interfacing your own tools. An app in SAMSON can:
- Connect to an external executable or web service
- Wrap an existing code module (e.g., Python, C++, etc.)
- Provide a graphical interface for your command-line tools
Apps can be launched directly from SAMSON’s Home > Apps panel, or found using the Find everything search box. Once integrated, they can communicate with other SAMSON Extensions and benefit from SAMSON’s infrastructure—data management, viewport visualization, undo/redo capabilities, and more.
Typical Use Cases
Here are just a few scenarios where apps in SAMSON can help:
- Your lab developed a scoring algorithm in Python. You want students to use it in an intuitive visual environment.
- You have a command-line tool for protein design that generates PDB files. You want to visualize results and tweak parameters interactively.
- You offer a remote computational service (e.g., docking in the cloud) and want users to submit jobs directly from SAMSON.
How to Get Started
To create your own SAMSON app, you’ll need to download the SAMSON SDK. It offers templates to expedite development of extensions, including apps. You implement the core logic of your tool inside the app, define the interface (e.g., buttons, menus), and compile the extension using the platform’s build system.
Once built, your app becomes a SAMSON Extension that you can:
- Use privately or within your lab
- Share with collaborators
- Distribute on SAMSON Connect – Marketplace
You even have the option to monetize your app by setting up subscription levels via Stripe, offering trial or academic discounts. You control whether your app is free, paid, or offers a freemium model.
Why Build an App?
Beyond convenience, the real benefit of integrating via SAMSON apps is the ability to place your tool within an ecosystem. Users can, for example, build a model using editors, connect your app for analysis, and visualize results—all in one workflow. You don’t have to reimplement viewers or handling for molecular formats.
Also, deploying your app across platforms becomes easier. SAMSON’s SDK handles cross-platform builds, letting you focus on domain logic instead of installation issues.
Visual Example: Extensions in Action
Apps are just one category of SAMSON Extensions. Here’s a look at how various extensions can work together:
To explore more about creating and deploying an extension, including apps, refer to the official documentation page.
SAMSON and all SAMSON Extensions are free for non-commercial use. To get started, visit SAMSON Connect.