Whether you’re preparing molecular models for publication, simulation, or collaboration, data export is an essential—and often frustrating—part of a molecular modeler’s workflow. If you’ve ever spent time converting between formats or worried about data loss during export, you’re not alone.
In this post, we’ll explore how SAMSON, the integrative molecular design platform, helps streamline this task through its customizable Exporters. Instead of manually converting files or relying on fragile third-party tools, SAMSON lets you export your models easily and flexibly using built-in tools and extension modules.
Why exporting can be tedious in molecular modeling
Every file format—like PDB, XYZ, CIF—comes with its own pros and cons, and is tailored for specific use cases. A visualization file for a rendering engine may not include the atomic coordinates you need for simulation. Likewise, exporting a large biomolecule to a format that doesn’t support secondary structure information can lead to critical detail losses during analysis.
Manually converting between these formats, patching fields, or cleaning incorrectly exported files can waste hours of productive time, especially when working with complex or collaborative projects. SAMSON simplifies this with a powerful Exporter system.
Meet SAMSON Exporters
Exporters in SAMSON are modules specifically designed to convert your work inside the platform into widely used file formats. For example:
- PDB Exporter for exporting atomic structures for protein modeling or submission to databases.
- XYZ Exporter for geometry-based simulations and fast file loading.
These Exporters allow you to save not only molecular structures but also visual representations, enabling smoother transitions between modeling, visualization, and publication-ready content.
Out-of-the-box, SAMSON includes several common exporters, but here’s the real advantage: you can install more, or create your own.
Adding or developing your own Exporters
If the format you need isn’t available by default, you can explore additional exporters through SAMSON Connect, a hub for additional modules and extensions.
Advanced users and developers can even build their own exporters tailored to their workflow by following the tutorial on generating SAMSON Extensions. This makes it possible to encode lab-specific naming schemes, export custom metadata, or interface directly with external software systems.
Not finding what you need?
If you’re missing a specific exporter, SAMSON encourages you to get in touch. The team welcomes suggestions, and many extensions in the SAMSON ecosystem have been developed in response to user requests.
Supported formats
Wondering what you can already export to? Check the full list of supported formats. Having this centralized makes planning your workflows easier, especially if you interact with researchers using other platforms.
Exporting your work doesn’t have to be a bottleneck. With SAMSON’s exporter architecture, users—from educators to pharmaceutical researchers—can spend less time formatting data and more time analyzing, simulating, and designing.
To learn more, visit the full documentation page about Exporters in SAMSON.
SAMSON and all SAMSON Extensions are free for non-commercial use. You can download SAMSON at https://www.samson-connect.net.