One common roadblock for many molecular modelers is the difficulty of integrating their own code or favorite external tools into larger modeling platforms. Maybe you’ve developed a docking routine in Python, or rely on a web-based prediction tool. Jumping between software environments can be time-consuming and error-prone.
With SAMSON, there’s a flexible way to bring your existing tools right into the platform: custom apps.
What are SAMSON Apps?
SAMSON Apps are extensions that add functionality to the SAMSON molecular design platform. They can act as connectors to external executables or web services, wrap previously developed scripts or libraries, or provide a completely new interface using the SAMSON API.
In short, apps are a way to expand SAMSON’s functionality in a manner that works with your workflow—not against it.
Common Use Cases: Bridging the Gaps
Many researchers already have custom simulations, data processors, or visualization tools outside of SAMSON. By creating an app, you can:
- Launch your external docking software directly from SAMSON
- Pre-process or post-process molecular data using your own scripts
- Send data to a web API for analysis and visualize results in real time
This is especially powerful when paired with SAMSON’s built-in apps, which can be found under Home > Apps.
Getting Started with Your Own App
Developing your own SAMSON App starts with the Extension Generator, which sets up the boilerplate framework to create extensions. You can choose whether your app will be purely GUI-based, command-line driven, or something in between.
You then add your functionality using the SAMSON API, which gives you access to the full range of operations inside the SAMSON environment—from accessing molecular structures and trajectories to creating custom interfaces.
Comprehensive explanations and examples are available in the Documentation center.
Combining Apps and Extensions
Apps are one of several types of SAMSON Extensions. You can combine your apps with other extension types, such as force fields or visual models, for even greater integration of your tools.
Example: AutoDock Vina Extended App
For example, the AutoDock Vina Extended App allows users to perform molecular docking simulations directly within SAMSON. This app connects to an external docking executable, wraps it in SAMSON’s interface, and integrates the result visually with the molecular scene.
You can take inspiration from this app when building your own app connectors or wrappers for specialized tools.
Where to Find and Add Apps
SAMSON comes with several apps by default. You can browse and install more via SAMSON Connect.
To start integrating your tools as SAMSON Apps, visit the official documentation page here: https://documentation.samson-connect.net/users/latest/apps/
SAMSON and all SAMSON Extensions are free for non-commercial use. You can download SAMSON here: https://www.samson-connect.net