If you’ve ever tried to export your molecular model for simulation or visualization outside your design platform, you probably know the struggle: mismatched file formats, loss of structural data, or visual styles not transferring properly. For molecular modelers switching between tools (say, from modeling in SAMSON to simulating in GROMACS or visualizing in VMD), having a reliable exporter can save hours of frustration.
This is where the exporter system in SAMSON comes in. Exporters are dedicated tools that write the content of your document—your molecules, visual representations, annotations, etc.—into external files using standardized formats. For instance, you might use a PDB exporter to prepare files for docking simulations or an XYZ exporter for quantum calculations.
Built-in support for common formats
SAMSON provides a default set of exporters that cover the most frequently used structure formats in computational chemistry and structural biology. This includes, but is not limited to:
- .pdb: for protein structures, docking input, and structure sharing
- .xyz: typically used in quantum chemistry workflows
- Various graphical formats for sharing rendered images or visualizations
The advantage is that these built-in exporters are tightly integrated with SAMSON’s internal document structure, which reduces the risk of data loss or formatting errors.
Need a different format?
If your modeling pipeline requires a format that isn’t included by default—no need to worry. SAMSON Connect houses a set of user-contributed and official exporters, all one-click installable from within the platform itself. This means you can tailor your exporter suite to match the file specifications of the tools you depend on.
Still can’t find what you need? The SAMSON team encourages users to contact them if an exporter is missing, which is a great way to help improve the platform.
Want to build your own exporter?
If you’re working in a research lab or developing custom workflows, you might need a very specific file output that isn’t supported anywhere else. SAMSON supports exporter development through its extension generator. With this tool, developers can create tailored exporters that integrate directly into the SAMSON ecosystem.
You can check out the resources about generating SAMSON Extensions and dig into examples from the Documentation center for more guidance.
Efficient workflows depend on smooth exporting
Whether you’re submitting a structure to a database, preparing input files, or simply archiving your work, getting the file format right matters. SAMSON’s exporters try to make this process seamless so modelers can focus on scientific questions, not format troubleshooting.
To learn more about exporters in SAMSON, including how to use them and where to get more, visit the documentation page here: https://documentation.samson-connect.net/users/latest/exporters/.
SAMSON and all SAMSON Extensions are free for non-commercial use. You can get SAMSON at https://www.samson-connect.net.