For molecular modelers, one recurring challenge is integrating multiple computational tools and datasets into a smooth and productive workflow. Whether you’re running docking simulations, visualizing complex molecular structures, or using custom algorithms, jumping between tools can be a time sink—and often requires stitching solutions together manually.
SAMSON Apps offer a helpful way to tackle this issue, by providing a modular and extendable framework where various functionalities—from simulations to external services—are integrated into a consistent environment.
What Are SAMSON Apps?
SAMSON Apps are modular extensions that provide new capabilities within the SAMSON integrative molecular design platform. These apps can range from simple connectors to external tools, to mini-programs that offer analysis, simulation, or automation functionality. They bring everything into the SAMSON ecosystem, so you can focus on your process instead of stitching tools together.
Some apps come pre-installed, while many more are available through SAMSON Connect. Whether you are looking to perform advanced molecular docking or visualize biological assemblies with custom representations, the app ecosystem helps you tailor your SAMSON workspace to your specific needs.
Example: AutoDock Vina Extended
Let’s say you’re interested in ligand-protein docking. With traditional workflows, launching AutoDock Vina separately and managing file preparation and results interpretation outside your modeling environment can be inefficient.
The AutoDock Vina Extended app integrates this popular docking tool directly into SAMSON. You can prepare your structures, run simulations, and visualize poses all in the same interface—dramatically reducing the chances of making mistakes during structure preparation and data transfer.
This is only one example. Many other apps—ranging from quantum chemistry wrappers to data visualization tools—can be added via SAMSON Connect. These apps help centralize your work, reduce cognitive overhead, and synchronize various tasks smoothly.
Where to Find and Install Apps
You can find available apps through the Home > Apps section in SAMSON. From there, you’ll get access to both default apps and a wide library of other tools in SAMSON Connect. The whole process is handled through the same user-friendly environment—no need to manually install external software packages.
Want to Build Your Own?
If you’re developing your own methods or scripts—or if you want to build tools tailored to your workflow—you can also create your own SAMSON Apps. The platform offers dedicated documentation on generating SAMSON Extensions, as well as full access to the Documentation Center to guide you through app development using the SAMSON API.
To learn more about what apps are available and how to integrate them into your workflow, visit the original documentation page here: https://documentation.samson-connect.net/users/latest/apps/
SAMSON and all SAMSON Extensions are free for non-commercial use. You can get SAMSON at https://www.samson-connect.net.