Whether you’re preparing a figure for publication, setting up a molecular dynamics simulation, or sharing structures with colleagues, exporting molecular models in the right file format is often a necessary — and sometimes frustrating — step in your workflow. Choosing the wrong format or missing key export settings can result in data loss or compatibility issues.
SAMSON, the integrative platform for molecular design, helps streamline this process with its built-in and customizable exporters. If you’ve ever asked yourself how to easily go from visualized molecule to usable file, here’s what you need to know.
What Are Exporters in SAMSON?
Exporters in SAMSON are specialized tools that allow you to save content from your project — including structures and visualizations — in a wide range of file formats. By default, SAMSON includes popular exporters such as:
- PDB (Protein Data Bank format) for structural biology applications,
- XYZ format for simple atomic coordinate output,
- And more, depending on what’s installed.
These exporters are especially useful when transitioning between tools. For instance, if your next step involves quantum chemistry software or a molecular dynamics engine, you’ll likely need to export in a compatible format.
Solving a Common Pain: Missing Export Formats
Many molecular modelers discover they need a specific format after they’ve finished building their system — only to realize that their software doesn’t support exporting to it. SAMSON addresses this by offering a modular approach. If a format isn’t available by default, additional exporters can be discovered and installed via SAMSON Connect.
If you still can’t find what you need, SAMSON even allows users and developers to create their own exporters. Whether you’re part of an academic lab or an industry team, this flexibility can save hours of manual conversion work.
Developer Tip: Build Your Own Exporter
If you’re comfortable with coding (C++ based SAMSON SDK), you can generate new SAMSON Extensions, including exporters. The developer documentation provides clear guidance for getting started: see the guide on generating SAMSON Extensions.
Creating a custom exporter may sound like overkill, but for specialized simulation tools or proprietary formats, it’s a practical investment. Plus, it’s a great opportunity for labs to streamline their digital workflows.
What Formats Are Currently Supported?
You might wonder: does SAMSON already support the format I need? To find out, check the updated list of supported formats. This ensures you don’t waste time trying to code an exporter that already exists.
Missing Something?
If your desired format isn’t available and you’re not up for coding your own exporter, the SAMSON team encourages users to get in touch. The platform is continuously evolving, and user feedback plays a big role in prioritizing new features and tools.
To learn more about exporters in SAMSON, visit the relevant page in the documentation:
https://documentation.samson-connect.net/users/latest/exporters/
SAMSON and all SAMSON Extensions are free for non-commercial use. To download SAMSON, visit https://www.samson-connect.net.