Molecular modelers often face the daunting task of organizing intricate structures, scripts, and datasets efficiently. Managing molecular documents can become increasingly complex when juggling multiple molecules or configurations. The good news? SAMSON, the integrative molecular design platform, offers a structured and flexible solution through its document management system. Let us explore how SAMSON documents can simplify your workflows and keep your projects perfectly organized.
What Are SAMSON Documents?
SAMSON documents are hierarchical entities that store all the information related to nodes, such as molecules, residues, atoms, Python scripts, configurations, paths, and more. This structure allows you to work seamlessly across multiple datasets, ensuring that all relevant data is consolidated in one place. The hierarchical design makes it easy to organize and navigate through your work, significantly reducing the clutter that often accompanies molecular modeling projects.
Explore the Document View
A highlight of SAMSON’s document system is the Document view. This feature provides an intuitive, graphical representation of the hierarchical structure of the currently active document. To access this view, follow Interface > Document view, or use the shortcut Ctrl+1 on Windows/Linux, or Cmd+1 on Mac.
Within the Document view, you can:
- View the document’s structure at a glance.
- Show or hide specific nodes to customize your workspace.
- Select nodes easily for targeted interactions or modifications.
- Filter nodes swiftly using the Node Specification Language (NSL) or node names.
- Reorganize document structure dynamically through drag-and-drop functionality.
- Apply context-specific actions via menus and toolbars for efficient editing.
Multi-Document Workflow: A Game Changer
Have you ever wished to work on tasks involving multiple molecules or configurations without constantly switching files? SAMSON supports multiple Documents, letting you have several documents open simultaneously while keeping only one active. The active document is always visible in the Document view. This feature is especially useful for tasks such as:
- Comparing molecular structures side-by-side.
- Transferring configurations between different molecules.
- Running distinct simulations without merging data unnecessarily.
Switching between documents is effortless. Simply click the Documents list in the top-left menu or navigate via Home > Documents. You can also use shortcuts (Ctrl+Tab or Ctrl+Shift+Tab on Windows/Linux, and analogously on Mac).
Self-Contained Documents: Embedding Files and Folders
The ability to embed files and folders directly into SAMSON documents sets it apart. This includes PDFs, images, scripts, and other data or structural files. Once embedded, all resources become part of a single, self-contained document, making sharing and transferring projects a breeze. With embedded folders, you can group nodes logically, making it simpler to hide or show them all at once, or apply specific operations across the set.
For example, you can embed and store optical data, molecule configurations, and residue groupings all within one SAMSON document. The embedded resources remain portable, enabling seamless collaboration or relocating projects between computers without missing critical files.
Learn more about embedding files and folders here.
Create and Organize Documents with Ease
Creating a new SAMSON document is straightforward. Just navigate to Home > File > New, or use the shortcuts Ctrl+N on Windows/Linux, or Cmd+N on Mac. To organize nodes further, group them into folders via Edit > Folder, or use Ctrl+Shift+F.
Conclusion
Efficient document management in SAMSON enables molecular modelers to save time, reduce errors, and streamline their workflows. From organizing molecules to working with multiple projects simultaneously, SAMSON offers a robust and intuitive toolset to address the challenges faced by researchers and designers.
To dive deeper into SAMSON’s document capabilities, visit the official documentation.
SAMSON and all SAMSON Extensions are free for non-commercial use. Get SAMSON at https://www.samson-connect.net.