If you’ve ever tried to work on several molecular modeling tasks at once, you’ll know how frustrating it can be to switch between files, copy molecular structures, or compare results side by side. Whether you’re simulating different conformations, comparing docking results, or simply organizing your work, managing multiple molecular structures smoothly is essential.
Fortunately, SAMSON allows you to open and manage multiple documents within a single workspace, making the process much more efficient. Here’s how it works—and why it might save you hours of time.
What is a Document in SAMSON?
A Document in SAMSON is essentially a container for your work—it can include molecules, models, folders, simulation results, scripts, and even embedded files. Documents appear in the Document view, where the data graph provides a clear structure of all the elements.
Opening and Managing Multiple Documents
You can have multiple Documents opened at once. Only one document is active at any given time—this is the one visible in the Document view. To switch between open documents, use the Documents dropdown in the top-left menu corner or navigate through Home > Documents.
This setup lets you:
- Work on different aspects of a project simultaneously.
- Copy atoms or molecular structures from one document to another easily.
- Keep temporary changes or experimental models without saving over your original file.
Creating and Opening Documents
To create a new document, follow Home > File > New. Recently opened documents can be accessed quickly through Home > File > Recent. Switching and creating documents is lightweight and doesn’t require restarting SAMSON or closing anything else you’re working on.
Documents Are Self-Contained
Documents can also contain embedded files and folders. For example, if you want to include a Python script, simulation input data, images, or papers as part of your project, you can drag them directly into a document. SAMSON will ask if you want to embed them. Embedded files make documents portable and sharable without breaking dependencies.
Working in Teams? Share Your Documents
If you’re working in a group or need to distribute your work, documents can be shared via SAMSON Connect. You can decide who sees it and what rights they have—view-only, editable with permission, or restricted. This makes collaboration easier, without relying on disconnected files or emails.
Conclusion
The ability to open and manage several documents in parallel may seem minor, but it directly impacts your productivity and workflow organization. From organizing multiple tasks to sharing complete project snapshots, SAMSON’s document management can enhance how you model, visualize, and simulate molecular systems.
To learn more, check the full documentation page on loading molecules and managing documents.
SAMSON and all SAMSON Extensions are free for non-commercial use. You can get SAMSON at https://www.samson-connect.net.