Molecular modelers often face a common challenge: how to integrate functionality from external tools or scripts into their modeling platform without starting from scratch. Reproducing established workflows or re-implementing code in a new environment can be time-consuming and error-prone.
If you are using SAMSON, there is a practical alternative that lets you build on your existing code and tools: apps.
Leverage Your Existing Tools With SAMSON Apps
Apps in SAMSON are a powerful way to extend the platform without needing to develop everything from zero. Whether it’s a connector to an external executable like AutoDock Vina or a bridge to a web service, apps can integrate practically any functionality with SAMSON.
This is particularly useful if you:
- Already use external modeling or simulation tools and want to streamline your workflow inside SAMSON.
- Have developed custom scripts or executables and want to interface them with molecular models visually or interactively.
- Prefer to wrap existing functionality rather than port code to a new API.
Where to Find and Add Apps
SAMSON comes bundled with a set of default apps, which you can explore by navigating to Home > Apps in the user interface. If you’re looking for more capabilities or specific integrations, additional apps are just a few clicks away through SAMSON Connect.
App examples include:
- Interfacing with docking tools like AutoDock Vina
- Running calculations via external web services
- Wrapping your in-house simulation codes using the SAMSON API
Getting Started with Development
If you are ready to create your own app, SAMSON provides an Extension Generator tool that structures your project and simplifies setup. You can find a step-by-step guide in the official documentation, along with an overview of the Extension Generator and resources in the Documentation Center.
This enables developers—without needing to be experts in the SAMSON API—to quickly start integrating their tools. You don’t have to rework your entire system to bring it into SAMSON’s visual and interactive environment.
Summary
For molecular modelers who want to integrate existing tools directly into their SAMSON workflow, apps offer a modular and scalable solution. Whether you use external simulations, analysis pipelines, or web services, SAMSON apps provide a bridge that turns those tools into interactive components of your molecular modeling environment.
Learn more in the official documentation.
SAMSON and all SAMSON Extensions are free for non-commercial use. You can download SAMSON from https://www.samson-connect.net.