Molecular modelers and computational chemists often face a common hurdle: exporting structures and visualizations in the right format for collaborators, publications, or simulations. With diverse tools requiring specific file formats like PDB, XYZ, CIF, or proprietary types, manually converting and exporting models can become a headache—especially when dealing with visual elements or large structures.
SAMSON, the integrative platform for molecular design, addresses this pain point through its modular exporting system. It comes equipped with built-in exporters and provides a seamless way to extend export capabilities through additional modules available on SAMSON Connect.
What Are SAMSON Exporters?
Exporters in SAMSON are specialized tools that allow you to convert and save your molecular documents—whether they contain atoms, simulations, or stylized renderings—into common file formats. The platform comes with a variety of exporters and lets you add new ones depending on your workflow and target tools.
Out-of-the-box formats
Out of the box, SAMSON supports multiple export formats suitable for both structural data and visual representations. This means that you can easily save a molecular model as:
- PDB (Protein Data Bank format for biomolecular structures)
- XYZ (standard in quantum chemistry)
- … and many others. The complete list is available here.
This wide support ensures that you spend less time converting files, and more time analyzing, simulating, or sharing results.
Need something else?
If you’re missing a particular export format in your toolkit, there are two straightforward options:
- Browse SAMSON Connect to find and install additional exporters built by the SAMSON community.
- Contact the SAMSON team and suggest a new exporter format.
For Developers: Create Your Own Exporter
If you have specific needs or want complete control, SAMSON provides tools to help you develop your own exporters. Using the Extension Generator and Developer Documentation, you can create customized exporters tailored to proprietary formats, simulations, or lab-specific workflows.
You can find the guide for creating new SAMSON Extensions here, and consult the full Developer Documentation here.
Why Should You Care?
Whether you’re creating molecular visuals for a paper, exporting trajectories for simulation, or simply archiving a structure, the ability to export easily in the right format saves time and prevents errors. SAMSON makes this process straightforward and even extensible, so your toolkit evolves with your needs.
To learn more about how exporters work in SAMSON, visit the official documentation here.
SAMSON and all SAMSON Extensions are free for non-commercial use. You can download SAMSON at https://www.samson-connect.net.