A molecular project can look complete on your computer and still be difficult to hand off: the structure is open, but the supporting scripts, images, papers, or data files live elsewhere. When those materials are scattered across folders, moving the work to another computer can mean tracking down every dependency again.
SAMSON offers a practical way to keep related material together: its documents can store molecular data and embed files and folders. The key is to treat a document as more than a place to display a structure. It can also serve as a container for the project materials you want to transfer with it.
Start by opening the structure
Open a local structure with Home > File > Open, or use Ctrl+O on Windows and Linux and Cmd+O on Mac. SAMSON selects an appropriate importer based on the file format. Some importers may present additional parameters; their defaults are used initially, and changes you make are saved for the next use.
After confirming the import, the structure appears in the viewport and in the Document view. The Document view shows the data graph of the active document, which can contain atoms, bonds, molecules, models, simulators, and other information. If you are working with more than one molecule or task, SAMSON can have several documents open, while one document at a time is active. You can switch between them using the Documents list or Home > Documents.
Bring related files into the document
Once the structure is in the active document, add the materials you want to keep alongside it. You can drag files or folders into SAMSON and respond to the prompt about embedding them. Alternatively, use Home > Embed files or Home > Embed folders.
Universal File Embedding supports more than molecular models. A document can contain Python scripts, folders, research papers, images, data, and other files. This is useful when those items belong with a particular structure or project and you want them included when you transfer or share the document.
One helpful distinction: opening a structure and embedding a file are separate actions. Use Open to import a molecular file into SAMSON. Use the embedding options to store supporting files or folders inside the document. Embedding a script or paper does not, by itself, mean it has been run or imported as a molecular structure.
A simple handoff routine
- Open the structure using Home > File > Open and complete any importer prompts.
- Check the active document in the Document view.
- Embed the project files and folders that should travel with the document, using drag and drop or the Home menu.
- If you have several documents open, confirm that you are adding the supporting materials to the intended active document.
- When the document is ready to pass on, use the document-sharing workflow that fits your needs.
This routine does not replace good project organization, but it can reduce the chance that a handoff consists of a structure file with its supporting material left behind on one computer. Keeping related items in the document also makes it easier to see what belongs together when you return to the project later.
For details on opening structures, documents, and embedding files, see the SAMSON loading molecules documentation.
Note: SAMSON and all SAMSON Extensions are free for non-commercial use. Get SAMSON.