One common challenge for molecular modelers is handling the wide array of data formats used in structural biology, materials science, and chemistry. Whether it’s PDB, MOL, CIF, or dozens of others, molecular data often comes in different shapes and storage conventions. If you’ve ever had trouble loading a file into your molecular modeling software, you’re not alone.
SAMSON, the integrative molecular design platform, addresses this challenge through a system of Importers. These are small extensions dedicated to parsing specific types of files. They allow users to load different molecular data formats directly into the SAMSON interface, making it easier to analyze, simulate, or model complex systems.
What are SAMSON Importers?
Importers are logic components designed to translate specialized file formats into molecular structures, graphs, or scalar fields that SAMSON can interpret. For instance, some importers handle classic formats like PDB (Protein Data Bank), while others can read advanced data like electron density maps.
Out of the box, SAMSON provides a useful set of default importers covering many popular file formats. If the file you’re trying to open isn’t recognized, chances are there’s an importer for it on SAMSON Connect, the extension marketplace. You can easily install additional importers to broaden the range of files SAMSON can read.
Why using Importers matters
Molecular modeling requires accurate and complete structure data. Improper loading or partial parsing of files can lead to incorrect geometries, broken topologies, or missing metadata. SAMSON’s importer system helps reduce these risks by converting complex formats into valid, editable SAMSON models, while preserving data like atom types, bonds, electron densities, or scalar fields.
For modelers collaborating across labs or sourcing data from different repositories (e.g., the PDB, Materials Project, or in-house simulations), importers simplify file handling and enhance compatibility.
How to check supported formats
Before downloading or requesting a new file format, you might want to verify if SAMSON already supports it. There is a comprehensive list of formats supported by SAMSON available in the user documentation. This can help you avoid unnecessary format conversion or errors during file loading.
What if SAMSON doesn’t support your format?
If you’ve encountered a file type that SAMSON doesn’t yet support, there’s an easy solution: get in touch with the SAMSON team. They encourage feedback from users and may be able to help or guide you toward developing your own importer.
For developers: Build your own Importer
If you have programming experience, SAMSON provides tools to create custom importers. You can follow the guide on generating SAMSON Extensions. This allows you to build importers tailored to proprietary or emerging formats used in your lab or organization.
Whether you’re a user looking to import a molecule from a public database, or a developer working on a novel file format, SAMSON’s customizable importer system gives you the flexibility you need.
SAMSON and all SAMSON Extensions are free for non-commercial use. Download SAMSON at https://www.samson-connect.net.