Molecular modelers often face a recurring challenge: integrating various tools and external workflows into a single streamlined environment. Whether it’s docking, simulation, or data analysis, moving between multiple software tools can slow down research and increase complexity.
This is where SAMSON’s app system becomes interesting. Instead of relying on different standalone tools, SAMSON allows users to extend its core functionality directly with Apps. These Apps can range from user-friendly interfaces to well-known algorithms, to connectors with external executables and web services.
One key benefit for users is that apps in SAMSON are designed to interoperate with each other and with other SAMSON Extensions. This means the results of one app can often be used directly in another without cumbersome file conversions or extra scripting. As a result, users can build flexible workflows that feel integrated and intuitive.
Where to Find Apps
All available apps are accessible in Home > Apps within the SAMSON interface. SAMSON comes with a default set of pre-installed apps that cover common modeling tasks. But users can easily add more specialized capabilities by accessing SAMSON Connect, SAMSON’s online extension repository.
SAMSON Connect features a wide range of apps developed not just by the SAMSON team but also by researchers and developers from the community. This ecosystem makes it easier to find tools that match your science and workflow.
For example, suppose you often perform molecular docking. You might be using AutoDock Vina through scripts or command-line interfaces. With SAMSON, you can install the AutoDock Vina Extended App, which wraps the docking functionality with a graphical interface directly inside SAMSON’s 3D environment. This removes the need for data conversions or jumping between applications and makes the docking process more interactive and visual.
Creating Your Own Apps
For users who develop their own workflows or want to share custom algorithms with the community, SAMSON also supports the creation of new apps. The Extension Generator and developer documentation provide detailed guidance on how to wrap your code into a SAMSON Extension. These apps can then benefit from SAMSON’s interface and data model, and interoperate with other extensions.
Whether you’re using prebuilt tools or looking to integrate your own, the app-based architecture of SAMSON provides a clean path to enriching your modeling environment without sacrificing usability or compatibility across tools.
Learn more about Apps in SAMSON.
SAMSON and all SAMSON Extensions are free for non-commercial use. You can download SAMSON at https://www.samson-connect.net.