Molecular modelers often find themselves juggling several pieces of software to complete a workflow—from docking and energy minimization to structural analysis. This switching can disrupt focus, increase the potential for user error, and reduce productivity.
This is where SAMSON Apps can help. SAMSON, the integrative molecular design platform, supports custom Apps that you can integrate directly into your environment. Whether it’s a connector to an external tool or a fully fledged simulation module, Apps make it easier to tailor your workspace to your research needs.
What Can SAMSON Apps Do?
Apps in SAMSON provide functionality ranging from interfaces to external executables and web services to complex algorithms built using the SAMSON API. For example, there’s an App for running AutoDock Vina, and another to interface with different visualization styles or data analyses. These Apps can be developed by either the SAMSON team or by users who want to integrate their own tools.
If you’ve already developed a script or tool and you want to make it part of your streamlined workflow in SAMSON, wrapping it as an App allows you to:
- Use your tool directly in SAMSON without leaving the platform
- Visualize results in 3D immediately
- Access other SAMSON features (like molecular selection or visualization) programmatically
Where to Find and Manage Apps
If you’re using SAMSON, default Apps are already included when you install the platform. You can find them directly by navigating to Home > Apps in the user interface.
Need more features? You can download additional Apps from SAMSON Connect, which hosts a growing library of Extensions and Apps shared by the SAMSON team and community members. Many are free and open for non-commercial use.
Want to Build Your Own?
If your tool or analysis pipeline is still outside SAMSON and you’d like to bring it in, you can start building your own App using the Extension Generator. SAMSON offers detailed documentation on generating SAMSON Extensions, which include Apps.
The process involves:
- Defining your App’s structure using the generator
- Adding your logic using C++ and the SAMSON API
- Testing and packaging your App to use within SAMSON
While some programming knowledge is required, the development framework is consistent and well-documented, making it manageable even for researchers with limited software experience.
Creating a SAMSON App isn’t just about automation—it’s about bringing your tools closer to your data, making it easier to understand models, make decisions, and iterate faster.
To learn more about Apps, visit the official documentation page.
Note: SAMSON and all SAMSON Extensions are free for non-commercial use. You can get SAMSON at https://www.samson-connect.net.