For molecular modelers, working with molecules often involves juggling diverse files, formats, and workflows. How do you effortlessly manage this complexity and focus on your research? Enter SAMSON’s intuitive approach to loading and managing molecular structures.
Opening Local Files Made Simple
Whether you’re opening a new file or accessing a recent structure, SAMSON offers intuitive options. Use Home > File > Open or the shortcut Ctrl + O (Windows/Linux) or Cmd + O (Mac) to quickly load files. To revisit recently opened files, head to Home > File > Recent, where all previously opened files are listed for your convenience.
SAMSON automatically selects an appropriate importer based on the file format you’re using. For additional supported formats or specialized importers, visit the Marketplace on SAMSON Connect. The first time you use a new importer, default settings will be applied, but you can modify them for future use.
If you’re fetching structures directly from online databases, SAMSON integrates tightly with apps like Fetch Structures, which can download files in PDB, mmCIF/PDBx, and MMTF formats from the RCSB Protein Data Bank. This allows you to bring in structures easily from reliable external sources.
Visualizing and Managing Documents
Once your molecular structures are loaded, all files and associated data are stored in SAMSON’s document system. You can view and manage active documents using the Document View. This feature stores comprehensive information about each molecule, from atoms and bonds to complex models and simulators.
Having multiple documents open simultaneously can significantly enhance your workflow. For instance, you might compare different molecular structures or copy elements from one document to another. While only one document can be actively viewed at a time, switching between them is as simple as selecting it from the Documents list in the top-left corner of the menu or navigating to Home > Documents. You can also create new documents using Home > File > New or access recently opened ones via Home > File > Recent.
Make Documents Self-Contained
Molecular modeling often requires embedding additional resources. SAMSON’s Universal File Embedding allows you to include Python scripts, datasets, research papers, and even entire apps directly within a document.
Add these resources seamlessly by dragging and dropping files or folders into SAMSON. You’ll be prompted to embed them, effectively creating a self-contained document package. This ensures that documents are easily transferable between machines and simplifies document sharing.
To embed manually, use Home > Embed files or Home > Embed folders. Once embedded, these files remain with the document, providing consistent access across all collaborators.
Conclusion
Molecular modeling involves diverse challenges, but SAMSON’s document-oriented design makes loading, managing, and enhancing molecular structures a streamlined experience. From local file handling to embedding external resources, SAMSON is designed to adapt to your workflow and reduce friction in your modeling projects.
For more details and additional features, refer to the official documentation page.
SAMSON and all SAMSON Extensions are free for non-commercial use. Download SAMSON at SAMSON Connect.