For molecular modelers, managing complex hierarchies of molecular data can often be a time-consuming and tedious task. Organizing molecular structures, residues, or atoms, along with cameras, Python scripts, or other assets, is crucial for efficiency, especially as projects grow in complexity. SAMSON, the integrative molecular design platform, offers a practical and powerful solution to this challenge through its concept of Documents. Let’s explore how SAMSON Documents can simplify your modeling workflow and keep your data perfectly structured.
What Are SAMSON Documents?
In SAMSON, a Document is a structured hierarchy of nodes that stores your project’s data. These nodes include molecular structures (e.g., molecules, residues, atoms), cameras, scripts, folders, files, and more. By organizing your data into a document, you can keep everything you need in one place while ensuring it remains both accessible and visually manageable.
Visualizing Your Document: The Document View
SAMSON’s Document view allows you to navigate and manipulate the hierarchical structure of your active document. It provides a clear, tree-like representation of all the nodes within your project. To access the Document view, go to Interface > Document view, or use the shortcut Ctrl + 1 on Windows/Linux, or Cmd + 1 on Mac.
Using the Document view, you can:
- Effortlessly navigate the structure of your project.
- Show or hide specific nodes to focus on the parts of the data you’re working with.
- Select nodes for operations like transformations or analyses.
- Filter nodes based on their type, name, or Node Specification Language criteria.
- Rearrange the structure by simply dragging and dropping nodes.
- Apply specialized actions to nodes using the context menu or toolbar options.
Why Use Folders in Your Documents?
To further organize your project, SAMSON Documents support Folders. Folders allow you to group nodes, such as molecules, into logical categories, enabling you to manage complex datasets more efficiently. For instance, you can group molecules by type and hide or show an entire group with just one click.
To create a new folder, go to Edit > Folder. The self-contained nature of SAMSON Documents ensures that embedded folders—and the files they contain—remain part of the document, simplifying data transfers between devices or collaborations with others.
If you frequently work with large datasets or multiple molecules, leveraging folders can significantly enhance your productivity by making it easier to locate, adjust, and share data.
Switching Between Documents
Did you know you can open multiple documents in SAMSON simultaneously? Whether you need to compare different molecular models or copy structures between projects, the interface allows seamless switching. Simply use the Home > Documents dropdown menu in the top-left corner or the Documents list. The current active document is the one visible in the Document view.
Where to Learn More
SAMSON’s document-based approach is a game-changer for molecular modelers managing complex data. Whether you need organization, quick navigation of your data graph, or portability, SAMSON Documents can make your work more manageable and efficient.
To discover more features of SAMSON Documents, head over to the official documentation page.
SAMSON and all SAMSON Extensions are free for non-commercial use. Get SAMSON today at samson-connect.net.