One of the most common frustrations molecular modelers face is being unable to save their work in the right format. Whether you’re preparing to submit a structure to a database, running simulations in an external program, or simply sharing an image with a colleague, saving your work correctly is critical. Unfortunately, many platforms offer limited export options, leading to unnecessary workarounds or data loss.
This is where SAMSON’s Exporters come in. These are small, dedicated tools within the SAMSON molecular design platform that let you easily export your molecular systems and visualizations in many useful formats.
What are Exporters?
Exporters are components in SAMSON that allow you to save your data to files. This could be atomic structures, trajectories, or rendered representations. Out of the box, SAMSON provides several exporters, including common formats like PDB and XYZ. These are widely used in molecular modeling, allowing you to share your models or import them into other simulation and analysis tools.
Don’t see the format you need? You’re not stuck. SAMSON supports extensibility through SAMSON Connect, a platform where you can download additional exporters developed by SAMSON users and partners. This allows the exporter library to continuously evolve and support new research needs without requiring updates to the core software.
How Do You Use Exporters?
It’s simple. From the SAMSON interface, you can use the “Export” functionality from the File menu or through the document context menu. You can then select the desired exporter and specify the output path and options. SAMSON will take care of the formatting and data preparation.
For example, if you want to export a molecular system to run a simulation in another tool, choose an appropriate exporter (e.g., XYZ), select your system, and click export. Your file is ready to be loaded into your simulation tool without additional conversion steps.
What if You Need a Format That Doesn’t Exist?
If you find yourself needing a specialized format that no existing exporter supports, you’re not alone. In that case, SAMSON offers two solutions:
- You can contact the SAMSON team and request support.
- If you’re familiar with coding, you can write your own exporter using the SAMSON SDK. The Extension Generator tool is a handy entry point to create new exporters.
Why Use Exporters in SAMSON?
- Convenient: Manage exports directly from the interface without switching tools.
- Flexible: Support for multiple scientific formats used in structural biology, materials science, and computational chemistry.
- Extensible: If a format isn’t there, just add it.
Whether you’re preparing a publication, designing a molecular animation, or setting up a simulation, SAMSON Exporters make sure your data is ready.
To learn more about Exporters and see the list of supported formats, check the official documentation page here: https://documentation.samson-connect.net/users/latest/exporters/
SAMSON and all SAMSON Extensions are free for non-commercial use. You can download SAMSON from https://www.samson-connect.net.