For molecular modelers, efficiently loading and managing molecular structures can often be a daunting task, especially when juggling multiple formats and datasets. SAMSON, the integrative molecular design platform, offers a robust solution that not only simplifies this process but also enhances your productivity by streamlining how you handle molecules, files, and even embedded content.
Open Local Files and Fetch Structures
The cornerstone of working with molecules in SAMSON is the ability to load structures seamlessly, whether from local files or online repositories like the RCSB Protein Data Bank. To open a molecule file, simply navigate to Home > File > Open or use the convenient keyboard shortcut Ctrl + O on Windows/Linux or Cmd + O on macOS. If you’re revisiting recent work, Home > File > Recent displays your most recently accessed files for quick reference.
Concerned about format compatibility? By default, SAMSON supports a range of molecular file formats (e.g., PDB, mmCIF, MMTF) via its diverse set of importers and exporters. Can’t find the importer you need? Expand your toolkit using the SAMSON Marketplace.
The import process is intuitive. Upon selecting a file, SAMSON utilizes an appropriate importer and may prompt you to specify parameters tailored to the file’s format. Adjust these as needed; SAMSON remembers these preferences for future use. Once the parameters are set, click OK or press Enter, and your molecule is immediately imported into the Document view and displayed in the viewport.
More Than Just File Loading
SAMSON takes molecule management a step further by allowing you to fetch molecular structures directly from online databases. The Home > Fetch menu lets you download files from the RCSB Protein Data Bank, covering popular formats like PDB, mmCIF/PDBx, and MMTF.
Molecular Management with Documents
Understanding SAMSON’s document structure is key to efficient molecular modeling. Once loaded, molecules, along with other files and folders, are organized into an active document. The Document view displays a detailed data graph of your project, encompassing everything from atoms to simulators.
Need to manage multiple projects simultaneously? SAMSON allows you to have several documents open at once, with one active document in focus. Switch between documents via the Documents list at the top-left menu or by navigating to Home > Documents. This capability is particularly useful for tasks like comparing different molecular models or transferring structures between projects.
What’s Next?
Whether you’re inspecting loaded structures, building new molecules, or sharing projects via SAMSON Connect, the platform’s modular design makes it easy to transition seamlessly between workflows. To dive deeper into documentation and features, visit the official guide on loading molecules in SAMSON.
SAMSON and all SAMSON Extensions are free for non-commercial use. Start your molecular modeling journey by downloading SAMSON at samson-connect.net.