Molecular modelers often encounter a familiar frustration: you download a dataset from a database, receive a file from a collaborator, or export something new from your lab’s instrument software… only to find that your modeling platform can’t open the file.
If you’re using SAMSON, this problem might be easier to solve than you think.
Why file format headaches happen
In the field of molecular modeling and integrative design, data comes in many different formats — PDB, MOL2, GRO, CIF, DX, and many more. Each file type might arise from a different software package or experiment type (X-ray crystallography, cryo-electron microscopy, molecular dynamics, etc.).
The challenge is that not every molecular modeling program supports every format out of the box. This is where importers become essential — they’re modules that enable your software to parse specific types of files.
What importers do in SAMSON
SAMSON has a built-in collection of importers to handle common file formats used in molecular modeling. These include:
- PDB importers for loading atomic structures from the Protein Data Bank
- Electron density parsers for interpreting volumetric datasets
- Others for recognized molecular, lattice, or simulation-derived formats
But what if you try to import something and it doesn’t work?
How to solve a missing importer issue
If SAMSON doesn’t open your file, don’t panic. Here’s how you can troubleshoot it:
- Check the list of supported formats to verify whether the format is currently supported.
- If not listed, visit SAMSON Connect — new importers might be available as SAMSON Extensions.
- If no importer is available, contact the SAMSON team: contact@samson-connect.net.
This way, you’re not blocked for long — you either locate the right importer, or you request one.
Want even more control? Create your own importer
If you’re developing custom simulation tools or working with in-house file formats, you might consider building your own importer.
SAMSON offers guidance on writing custom importers in C++. Learn more through the guide on generating SAMSON Extensions. The SAMSON Developer Documentation will help you dive deeper.
Conclusion
Working with heterogeneous molecular data is a fact of life in structural biology, drug design, and computational chemistry. Instead of switching between multiple tools or relying on format converters, importing your data directly into SAMSON can save time and reduce errors.
Using SAMSON’s importers — or creating your own — ensures that you can integrate your data wherever it comes from, and focus on analysis and design rather than data wrangling.
Visit the full documentation page on importers to learn more.
SAMSON and all SAMSON Extensions are free for non-commercial use. Get SAMSON