Opening Molecular Files Without Headaches: How SAMSON Handles Multiple File Formats

Any molecular modeler who has ever wrestled with the maze of file formats knows the pain: one collaborator sends you a .pdb, another uses .gro, and a public database exports your target structure in a format you’ve never even seen before. Before you can even begin modeling or simulating, you’re Googling compatibility issues and searching for converters.

Enter SAMSON: an integrative molecular design platform that streamlines this process with a unified, extensible importing system. If you’re new to SAMSON or just haven’t explored its importers yet, this post will walk you through how it simplifies the chaos of molecular file parsing—and how you can expand its capabilities to support even more formats.

What are SAMSON Importers?

Importers in SAMSON are modular components dedicated to reading structure and object data from various file types. Whether you’re working with protein data bank files, electron density maps, or specialized research outputs, importers are responsible for delivering that data into your modeling environment in a usable format.

By default, SAMSON includes a range of importers to support commonly used formats. A few examples include:

  • PDB: The widely used Protein Data Bank format for biomolecular structures
  • MMTF: A binary format for fast, efficient handling of large protein structures
  • CIF: Common in crystallography data
  • MOL2, XYZ, and others: For small molecules and computational outputs

That said, the real strength of SAMSON’s importer system lies in its extensibility.

Need More Formats? There’s SAMSON Connect

If you’re dealing with a file type not natively supported, you’re not out of luck. SAMSON Connect allows users to extend their workflow by adding new importers developed by SAMSON’s user community and partners.

You can explore additional importers in the SAMSON Connect catalog, install them with just a few clicks, and immediately gain support for new formats—no need to manually convert files or write custom scripts.

Want to Develop Your Own Importers?

For developers and researchers working with niche or proprietary formats, SAMSON provides clear guidance and tools for creating your own importers. Through the Extension Generator, you can build and integrate custom importers tailored to your specific needs. This is particularly helpful for labs with specialized equipment generating unique data outputs.

Why This Matters

At the end of the day, tasks like structure import should not be roadblocks in your modeling process. By supporting a wide range of formats out of the box—and giving you the power to easily extend that support—SAMSON helps eliminate one of the most common sources of friction in molecular modeling.

If you’re tired of wasting time dealing with format mismatches and just want to get to work, it’s worth exploring SAMSON’s approach to file import.

👉 Learn more in the Importers documentation.

SAMSON and all SAMSON Extensions are free for non-commercial use. You can download SAMSON here.

Comments are closed.