One common challenge faced by molecular modelers is juggling multiple specialized tools—often standalone or with limited interoperability. Researchers may rely on external executables, web services, or legacy codebases without an easy way to incorporate these within an interactive modeling environment.
This is where apps in SAMSON can help. SAMSON, the integrative molecular design platform, allows users to extend its core functionality with apps that can integrate external tools, connect with online services, or wrap existing code into the SAMSON environment. For both users and developers, this can simplify workflows, reduce context switching, and enhance productivity.
What is a SAMSON App?
In SAMSON, an app is a type of SAMSON Extension that provides specific functionality. This could include, for example, a docking tool, a visualization helper, or a connector to an external algorithm. If you have a preferred tool that operates as a command-line executable or web API, it’s possible to integrate that into SAMSON’s interface using an app.
For instance, one of the available apps is the AutoDock Vina Extended App, which brings docking capabilities directly into the SAMSON environment. This removes the need to prepare files in multiple locations or switch tools mid-workflow.
Finding and Using Apps
You can access apps by navigating to Home > Apps within SAMSON. Some apps come pre-installed, enabling key functions like basic simulations or molecular display enhancements. If you’re looking for additional functionality, head to SAMSON Connect. There, you can download and install more apps based on your research needs—whether it’s quantum chemistry, structural bioinformatics, or machine learning.
Want to Build Your Own?
If you’ve written custom algorithms or developed tools internally, SAMSON allows you to bring them into your modeling environment using its Extension Generator. This can be especially useful for academic labs or biotech companies that maintain in-house code.
Start with the Extension Generator documentation, which guides you through the process of wrapping your code into a SAMSON app. With SAMSON’s APIs, you’ll gain access to molecular data structures, visualization controls, and user interface elements that make integration straightforward.
Why This Matters
For researchers, the ability to ensure their preferred tools work seamlessly inside one unified environment means less time formatting inputs or re-parsing outputs. Beyond increased efficiency, it also minimizes the risk of errors from repeatedly transitioning data between incompatible platforms.
Whether you’re an end-user installing a docking app or a developer integrating a proprietary plugin, SAMSON’s app system aims to simplify and centralize your modeling workflow.
To explore all currently available apps and learn how they fit into your research process, visit the apps section of the SAMSON documentation.
SAMSON and all SAMSON Extensions are free for non-commercial use. To download SAMSON, visit samson-connect.net.