Many molecular modelers often find themselves repeating the same actions: translating atoms, computing molecular properties, or building small interactive tools. When done manually or hardcoded repeatedly into Python scripts, these tasks can become tedious and time-consuming. If this feels familiar, there’s good news: the /script command in SAMSON AI might be just the productivity boost you need.
SAMSON AI, based on GPT-5, understands natural language and transforms well-phrased descriptions into ready-to-run Python scripts. These scripts use the SAMSON Python API and can help streamline your workflow significantly. Whether you’re new to scripting or a seasoned modeler looking to speed up routine steps, this feature is worth exploring.
Why scripting with SAMSON AI?
Traditionally, building scripts requires familiarity with the API, function names, arguments, and a good deal of trial-and-error. But with SAMSON AI, you can do things like:
- Quickly prototype ideas or automation routines
- Explore the SAMSON API through usage rather than manual lookup
- Combine scripting with machine learning modules by asking AI to set up the boilerplate
- Spend less time on syntax and more on modeling
What can you ask?
The /script command is intuitive. Type it in SAMSON AI followed by a description of your task in plain English. The AI then returns a Python script that you can execute or refine. Here are some practical examples:
/script select all atoms and translate them in the z direction by 1 angstrom./script create a GUI that lets me enter a distance in angstrom, with a 'Move' button./script compute the gyration radius of the receptor.
This is especially beneficial for early-stage prototyping. For instance, if you’re developing an app to manipulate structures interactively, you can use /script to quickly design basic GUIs using SAMSON’s interface capabilities and then iteratively refine the logic based on your needs.
How does it work technically?
Behind the scenes, these scripts rely on the SAMSON Python API, which allows interaction with molecular models, their visual representation, and computational modules. SAMSON AI understands which functions and objects are available within this API and customizes its output accordingly. You remain in control — all scripts can be reviewed and edited before execution.
Reducing time to insight
In computational research, iteration speed can significantly affect productivity. With the /script command, you no longer need to search the documentation or retype template code every time you want to test a new idea or create a quick interaction element — you can just describe what you want in natural language and receive instant results.
Getting started
To access SAMSON AI and type your first /script command, open it via Interface > Assistant or press Ctrl + 0 on Windows/Linux or Cmd + 0 on Mac. Then, simply begin your prompt with /script, followed by a clear objective.
If you want to discover the full range of coding options available via the Assistant, type the / character and explore the command suggestions.
To learn more and see more command examples, visit the official documentation page:
https://documentation.samson-connect.net/users/latest/samson-ai/
SAMSON and all SAMSON Extensions are free for non-commercial use. Download SAMSON at https://www.samson-connect.net.