For many molecular modelers, switching between development environments, simulation tools, and analysis platforms is a regular part of the workflow. This fragmentation can be time-consuming and error-prone, especially when adapting or reusing previously developed code. But what if your trusted codebase could be integrated directly into your modeling environment?
This is where Apps in SAMSON come in. SAMSON, the integrative molecular design platform, allows users to extend its core functionality through Apps. Whether it’s a standalone simulation tool, a connector to a web service, or a custom analysis algorithm you built years ago, chances are you can integrate it into SAMSON without having to rewrite everything from scratch.
What Exactly Is an App in SAMSON?
At its core, an App is a type of SAMSON Extension that adds new functionality to the platform. This could range from visualizations and UI elements to computational methods or data analysis tools.
For example, the AutoDock Vina Extended App integrates docking capabilities into SAMSON’s interface, allowing researchers to perform docking experiments within the same platform they use for visualization and model preparation.
Why Use Apps Instead of Running Tools Separately?
Here are a few real-world scenarios where Apps in SAMSON can save you time and reduce complexity:
- Parameter standardization: Instead of manually re-entering parameters each time you need to run an external executable, you can create an interface to your executable with preset parameters.
- Improved reproducibility: Apps can wrap existing code and ensure it’s used the same way across analyses, making results more reproducible.
- Streamlined workflows: Chaining steps like structure preparation, simulation, and visualization becomes more seamless when everything takes place in one environment.
Where Do You Find These Apps?
In SAMSON, all available apps are accessible through the interface at Home > Apps. SAMSON ships with a default set of apps that cover common tasks. But if you need more specialized tools, you can download additional ones directly from SAMSON Connect. This library includes both official tools and community-built apps.
Want to Build Your Own?
If you’re a developer or a power user with scripts you’d like to turn into apps, SAMSON provides resources to get you started. The platform offers an Extension Generator and detailed documentation to help wrap your code and package it as a SAMSON Extension.
Check the SAMSON Extension Generator documentation for step-by-step guidance. Whether you’re connecting to web services or proprietary tools, Apps allow you to tailor SAMSON to your use case.
Conclusion
Integrating your existing molecular modeling tools into SAMSON using Apps can save time, improve workflow consistency, and remove friction from your daily work. Explore Apps in SAMSON to see how you might consolidate some of your tools into a single, extensible platform.
To learn more, visit the official documentation page: https://documentation.samson-connect.net/users/latest/apps/
SAMSON and all SAMSON Extensions are free for non-commercial use. You can get SAMSON at https://www.samson-connect.net.