If you’re a molecular modeler working with multiple tools and file formats, you’ve probably bumped into this common issue: exporting your models in the right format for a collaborator, a publication, or a specific simulation package.
Whether you need .pdb files for protein structures or .xyz files for quantum chemistry calculations, file compatibility becomes more of a bottleneck as your projects scale. Not every platform provides enough export options, and building workarounds can be time-consuming at best, and error-prone at worst.
This is where SAMSON can help. SAMSON offers a flexible system of exporters—small tools dedicated to saving your work in a variety of common molecular file formats.
What are SAMSON Exporters?
In SAMSON, exporters are dedicated components that allow you to save structural and visual content from your workspace to files. For example, if you’re working on a molecular dynamics setup, you might want to export your final structure as a PDB file. For larger-scale chemical space exploration projects, XYZ format might be preferable.
Out of the box, SAMSON comes with several exporters. These include common file formats like:
- PDB – Protein Data Bank files used in structural biology and molecular dynamics
- XYZ – Simple format used for atomic coordinates in quantum chemistry and visualization
If the built-in exporters don’t cover the format you need, no problem—you can add more via SAMSON Connect, a library of extensions developed by the community and the SAMSON team.
What if the Exporter I Need Isn’t Available?
If you’re missing a specific file format that you need to export to, SAMSON invites you to reach out via email. They’re actively developing and curating the ecosystem, so requests help shape the platform’s direction.
Interested in Developing Your Own Exporter?
If you’re a technical user or part of a lab with specific workflow needs, it’s also possible to develop your own exporter. SAMSON provides detailed documentation on how to do this using the Extension Generator. This lets you generate your own SAMSON Extension tailored to your formatting or processing needs.
The process is well-documented and benefits from SAMSON’s modular design: you don’t need to build an entire application, just the export logic you need. And because SAMSON supports a plug-and-play approach, you or your collaborators can install that exporter with one click from SAMSON Connect.
Final Thoughts
Molecular modeling often involves juggling data across different tools and domains. By enabling powerful yet customizable exporting capabilities, SAMSON helps researchers keep their workflows smooth and aligned across different formats and applications.
To explore the list of supported exporters and learn how to add or make your own, visit the official documentation: https://documentation.samson-connect.net/users/latest/exporters/.
SAMSON and all SAMSON Extensions are free for non-commercial use. You can download SAMSON at https://www.samson-connect.net.