Exporting molecular structures and visualizations is a common task for molecular modelers—whether to share simulation results, create publication-ready images, or prepare input files for other tools. Yet, dealing with incompatible formats and clunky export pipelines can easily become frustrating.
SAMSON, the integrative molecular design platform, addresses this pain through a modular system of Exporters—dedicated tools for saving content from your document into a variety of file formats like PDB, XYZ, and more. This blog post explores how to make the most of this system to streamline your modeling workflow.
What are SAMSON Exporters?
Exporters are extensions that extract information from your project and convert it into a specific external format. Examples include a Protein Data Bank (PDB) exporter or an XYZ exporter for exporting atomic coordinates. They’re designed to be lightweight and focused, so you can choose the precise format you need without unnecessary complexity.
Why Use Exporters?
Here are some of the benefits of the Exporter architecture in SAMSON:
- Format flexibility: Export to multiple supported file types depending on your target analysis or sharing platform.
- Simplicity: Built-in Exporters are available by default, so getting started doesn’t require extra setup.
- Extendability: Need a format that’s not available? You can easily add new Exporters from the SAMSON Connect platform or even develop your own.
How to Export in Practice
Let’s say you’ve just finalized your molecular system in SAMSON and want to export the structure as a PDB file:
- Go to the menu and select the Export option.
- Choose your desired Exporter (e.g., “PDB Exporter”).
- Customize any export settings if needed.
- Save the file to your machine for immediate use in another tool or project.
It really is that simple.
Supported Export Formats
SAMSON supports a wide variety of formats, including structure, visualization and trajectory data. A complete list is always available here. This is especially helpful if you collaborate across teams using diverse simulation or analysis software.
What if You’re Missing an Exporter?
If there’s no Exporter for the exact format you need, there are two main paths:
- Install additional Exporters via SAMSON Connect.
- Contact the SAMSON team at contact@samson-connect.net if you’d like to request the addition of a specific Exporter.
Interested in Developing Your Own Exporter?
If you want to tailor your export pipeline, you can build your own Exporters using the SAMSON Extension Generator. This is ideal for advanced users or research groups with specific export needs not covered by off-the-shelf formats.
Start by referring to the SAMSON Extension Generator and general Developer Documentation.
Exporting shouldn’t slow you down. With SAMSON Exporters, transforming your molecular data into the right format is as flexible and seamless as the rest of your modeling work.
To learn more, visit the full documentation page on Exporters here: SAMSON Exporters Documentation.
SAMSON and all SAMSON Extensions are free for non-commercial use. You can get SAMSON at https://www.samson-connect.net.