For molecular modelers, efficiently organizing and managing molecular models, data, and related files is a cornerstone of productive workflows. However, keeping everything organized while juggling multiple files and projects can be challenging. SAMSON, the integrative molecular design platform, simplifies this process using its Document system, which acts as an organized workspace for all your molecular design needs.
What are SAMSON Documents?
SAMSON Documents are a core feature of the platform. They serve as containers that store everything you need: molecular models, bonds, atoms, simulation data, embedded files, and much more. By using documents, you can work on multiple projects simultaneously, switch between tasks seamlessly, and even share your entire workflow easily with others.
A single document combines multiple elements, making it self-contained and transferable between systems. This structure is incredibly helpful for collaboration, backup, and ensuring nothing is left behind when working on complex molecular design tasks.
Viewing Documents in SAMSON
All documents are accessible in the graphical Document View. This visual interface allows you to see the data graph of the active document, which includes all the key details about molecules, atoms, and other structures.
To open the Document View, navigate to Interface > Document view from the Home menu. For a better understanding, here is an example of how the Document View looks:
Managing Multiple Documents
In SAMSON, you can keep multiple documents open simultaneously, but only one document is active at a time. This active document is the one displayed in the viewport and other interface components. Having multiple documents open is useful when working on different tasks or managing multiple molecules. For example, you can compare structures side by side or copy elements from one document to another.
To switch between documents, use the Documents dropdown menu in the top-left corner of the Home menu, or follow Home > Documents. In this menu, you’ll also see the number of documents currently open.
Creating New and Accessing Recent Documents
If you want to begin a new project, you can create a new document by navigating to Home > File > New. Additionally, recently opened documents can be retrieved quickly via Home > File > Recent. This ensures you can efficiently resume your work where you left off.
Embedding Files and Folders
SAMSON doesn’t just store molecular models. The platform allows you to embed Python scripts, other files, and even folders directly into a document. This capability is invaluable for keeping relevant files, such as scripts for machine learning models, datasets, or research papers, within the same workspace. To embed files or folders, you can simply drag and drop them into SAMSON or use the Home > Embed files or Home > Embed folders options.
Embedded files are stored directly within the document, making the document truly self-contained and easy to transfer without losing important resources.
Conclusion
SAMSON’s Document system is a robust solution for managing molecular models and associated files efficiently. Whether you’re working on multiple projects, embedding critical resources, or preparing a document to share with collaborators, SAMSON makes the process seamless and intuitive.
To explore more about SAMSON’s Document system, check out the full documentation at this page.
*Note: SAMSON and all SAMSON Extensions are free for non-commercial use. You can download SAMSON at SAMSON Connect.