Efficiently Managing Molecular Documents in SAMSON

For molecular modelers, managing complex projects often involves juggling multiple files, structures, and datasets. Keeping everything organized and accessible can be a challenge, especially when working across different devices or with collaborators. With SAMSON’s document management features, organizing your molecular data becomes far simpler and more intuitive—whether it’s grouping molecules, embedding files, or transferring projects.

What Are SAMSON Documents?

In SAMSON, documents function as hierarchies of nodes, and they store all relevant information about those nodes. For example, a single document might include structural nodes such as molecules or atoms, cameras, Python scripts, and folders. This hierarchy allows users to keep their molecular data modular and organized.

Importantly, SAMSON documents are self-contained. This means all embedded folders, files (e.g., PDFs, datasets, images), and related materials are stored within the document itself. As a result, you can easily transfer your project between devices or share it with colleagues without any compatibility issues.

Visualizing Your Document

The Document view is a powerful tool for understanding and navigating your molecular data. It shows the hierarchical structure of the active document, also referred to as the data graph. To open it, simply follow Interface > Document view or use the shortcut Ctrl + 1 on Windows and Linux, or Cmd + 1 on Mac.

The document view shows SAMSON document structure

Within the Document view, you can:

  • Explore the document’s structure
  • Show or hide specific nodes
  • Select nodes for analysis or editing
  • Filter the nodes using search tools or Node Specification Language
  • Reorganize nodes by dragging and dropping them
  • Apply unique actions to nodes via their context menu or toolbar

Working with Multiple Documents

SAMSON supports having multiple documents open simultaneously. This feature is particularly useful when performing tasks like copying molecular structures from one project to another or comparing datasets without switching back and forth. To switch between documents, navigate to Home > Documents or use the top-left document list in the menu.

Switching between documents

If you need to create a new document, simply follow Home > File > New. For quick access to previously used projects, check your recently opened documents under Home > File > Recent.

Why Use Folders?

Folders are a fantastic way to organize nodes within your document. You can group similar types of data—like all molecules in a protein system—and operate on them collectively. For instance, folders allow you to hide or show groups of nodes in one click. Creating a folder is straightforward: go to Edit > Folder.

Edit menu

Using folders not only keeps your hierarchy tidy but also ensures you can easily move sets of files and data collectively. If you need to embed external files or subfolders (e.g., images, structure files, or data files), they become part of your self-contained document, ensuring nothing gets lost during transfers.

Learn More

SAMSON’s document management system offers the flexibility molecular modelers need to work effectively, whether organizing data within a single project or managing multiple projects simultaneously. Simplify your workflows and explore more advanced features by visiting the full documentation at https://documentation.samson-connect.net/users/latest/documents/.

SAMSON and all SAMSON Extensions are free for non-commercial use. Get your free version at https://www.samson-connect.net.

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