One of the recurring challenges in molecular modeling isn’t just the science—it’s the workflow. Researchers often find themselves using a mix of different tools that don’t always talk to each other. From simulation engines on one side to structure preparation tools and visualization platforms on the other, moving data back and forth can become tedious and error-prone.
What if your everyday scientific tools could plug directly into a single interface?
SAMSON’s Apps system makes this possible. Whether you’re running molecular docking workflows, connecting to custom executables, or visualizing new molecular descriptors from your own prototype scripts, SAMSON Apps integrate external programs and novel features into your modeling environment with surprising ease.
What is a SAMSON App?
In SAMSON, an App is a modular extension designed to provide specific functionality. These can range from user interface tools to backend connectors that communicate with complex services or command-line programs. For molecular modelers and computational chemists, this means you can:
- Connect SAMSON to third-party software or web services
- Wrap existing code (e.g. C++, Python, etc.) and make it part of the visual workflow
- Create interactive front-ends within SAMSON for custom algorithms
- Leverage SAMSON’s visual and analytical capabilities to better understand your models
Example: AutoDock Vina Extended App
This app illustrates the power of integration. AutoDock Vina is a popular engine for ligand-receptor docking. Rather than opening external terminals, moving files manually, and waiting for batch jobs to finish, you can run docking simulations entirely within SAMSON:
The app provides a user interface in SAMSON to configure, launch, and analyze docking results with Vina. Because of this, molecular modelers can rapidly iterate hypotheses and evaluate binding poses directly in the same platform where they model and visualize.
Where to Find Apps
All apps are available from the Home > Apps section of SAMSON. You’ll find both built-in apps and a rich collection of others available from SAMSON Connect. The ecosystem is continuously growing thanks to the community of developers who are contributing new functionalities tailored to diverse needs.
Want to Make Your Own App?
If you have a script, executable, or idea that you wish could be more user-friendly, the SAMSON platform lets you create your own apps using its Extension Generator. Even if you’re not an expert programmer, the integration with SAMSON’s API and development documentation lowers the barrier to creating functional, shareable tools.
By moving your favorite molecular modeling steps into SAMSON, you can reduce friction, save time, and focus on science instead of software logistics.
To learn more about how SAMSON apps work and how you can benefit, visit the original documentation page about SAMSON Apps.
SAMSON and all SAMSON Extensions are free for non-commercial use. You can get SAMSON at https://www.samson-connect.net.