For molecular modelers, workflows often require diverse, task-specific tools. Bringing these tools together into a cohesive environment can save time and increase efficiency. In this post, we explore how apps in SAMSON, the integrative molecular design platform, provide just that: an opportunity to extend functionality and enhance your molecular modeling experience.
Apps in SAMSON serve a wide range of purposes. They can be connectors to external executables or web services, integrations of previously developed code, or completely new functionalities built using the SAMSON Application Programming Interface (API). This flexibility allows molecular modelers to customize their platform according to their specific needs.
Getting started with apps is easy. By default, SAMSON comes with a set of pre-installed apps readily available under Home > Apps. These default tools already empower users by covering a variety of essential functions, but there’s much more you can do. To address additional workflow demands, SAMSON Connect offers a library of apps to extend the platform further.
This functionality is particularly powerful for researchers who want to incorporate advanced molecular modeling techniques or integrate external processes. For instance, if you’re working with ligand-protein docking simulations, you may find the AutoDock Vina Extended App beneficial. This app not only supports docking tasks but also takes advantage of the SAMSON environment, where multiple modeling and simulation techniques are seamlessly integrated.
Importantly, scientists and developers can go a step further by creating their custom apps to align with their unique research needs. The generating SAMSON Extensions guide and other resources in the Documentation center provide additional support for those eager to develop these extensions.
The ability to personalize and extend SAMSON with apps presents an effective solution to a common pain point in molecular modeling: finding and integrating the right tools in one place. Whether you’re a user looking for a streamlined environment or a developer seeking to contribute custom functionality, SAMSON’s app ecosystem equips you to achieve your specific goals.
To explore and install apps or even start writing your own, visit the SAMSON documentation page at https://documentation.samson-connect.net/users/latest/apps/.
Note: SAMSON and all SAMSON Extensions are free for non-commercial use. You can get SAMSON at https://www.samson-connect.net.