Molecular modelers often face a recurring challenge: combining diverse tools into a seamless workflow. Going from one software package to another, converting file formats, or scripting custom pipelines can be time-consuming and error-prone. This is where SAMSON’s app ecosystem provides a refreshing alternative, streamlining many of these tasks within a single, flexible platform.
SAMSON, the integrative molecular design platform, allows users to expand their capabilities by integrating ready-to-use apps directly into their environment. Whether you’re performing molecular docking, analyzing dynamics, or extending your setup with custom scripts, the Apps section in SAMSON opens up a wide range of functionality tailored to molecular modeling and simulation.
What Are SAMSON Apps?
In SAMSON, an “App” is a mini-program created to provide specific functionality. These apps can range from sophisticated docking engines to viewers, input/output converters, or connectors to external software and services. Essentially, SAMSON Apps serve as essential building blocks for custom workflows.
The platform comes with a set of default apps upon installation, and many more can be browsed and downloaded from SAMSON Connect. These are tightly integrated into the SAMSON interface and can be accessed via Home > Apps.
Solving Real Problems with Apps
Imagine you’re conducting molecular docking study using AutoDock Vina. Instead of switching between software or manually preparing inputs, you can simply install the AutoDock Vina Extended App from the SAMSON Connect marketplace. This app lets you perform docking directly within SAMSON, streamlining the entire workflow: protein-ligand setup, docking, and results visualization.
Apps like this are designed not just for convenience—they help researchers focus on science rather than on tool compatibility. By integrating these functionalities into a unified platform, they reduce manual effort, minimize errors, and enable reproducible workflows.
Get More from Your Setup
Another valuable aspect is that researchers can also develop their own apps using the SAMSON SDK. This allows labs or individuals with specific needs to create custom functionality that integrates smoothly with other SAMSON features. If you are interested in building your own app, you can refer to the Extension Generator and get help from the Documentation Center.
How to Add New Apps
To add more capabilities via apps:
- Open SAMSON and navigate to Home > Apps
- Click on “SAMSON Connect” to browse available apps
- Choose the desired app and click to install
- Access the app from within your workspace for immediate use
It’s a straightforward process that can save modelers hours of technical steps over the course of a project.
Explore the full documentation and available apps here: https://documentation.samson-connect.net/users/latest/apps/
SAMSON and all SAMSON Extensions are free for non-commercial use. You can download SAMSON at https://www.samson-connect.net.