Organizing Molecular Models Efficiently with Folders in SAMSON

Molecular modeling often involves managing vast sets of data, from molecules to scripts, files, and hierarchy structures. The challenge? Ensuring easy access, logical organization, and seamless collaboration without losing track of important elements. In SAMSON, organizing data within a project is incredibly practical thanks to its Folders feature. Let’s dive into how folders can streamline your workflow!

Why Use Folders in SAMSON?

Folders in SAMSON are an essential tool for grouping and organizing nodes within your document. Imagine being able to group all related molecules, structures, and settings into specific categories—folders allow you to:

  • Keep molecular assemblies and datasets neat and structured.
  • Apply operations to an entire group of items in a single click, such as hiding or showing molecules.
  • Ensure your document remains self-contained while transferring or sharing, as all folders and files are embedded directly into the document.

Creating a Folder in SAMSON

To create a folder in your SAMSON document, follow these simple steps:

1. Go to Edit > Folder in the top menu.
2. A new folder will appear in your document’s Data Graph as part of the hierarchy.
3. Rename the folder and drag-and-drop relevant nodes, molecules, data files, or objects into it.

Here’s how the menu looks:

Edit menu

Benefits of Using Embedded Folders

One of SAMSON’s standout features is its ability to create self-contained, portable documents. When folders contain files and data, everything is stored within the document itself:

  • Portability: Share or move a document across devices without worrying about referenced files being lost.
  • Collaboration: Ensure colleagues or collaborators receive a complete and organized data package.
  • Accessibility: Reduce the time spent searching for dependencies by having everything in one place.

Whether you’re grouping molecular models, scripts, or results, embedded folders allow you to intuitively manage complexity without clutter.

Practical Applications

Here are a few ways molecular modelers can use folders in SAMSON:

  • Analysis Organization: Group molecules to analyze conformational changes together.
  • Visualization Techniques: Hide or show entire folders of nodes for focusing on specific model aspects.
  • Data Categorization: Separate experimental results, simulation setups, or visualization options for streamlined navigation.

Learn More

For molecular modelers dealing with complex datasets, SAMSON’s folder functionality provides a clear path to better organization and more efficient workflows. To explore all the details and make the most of this feature, visit the full SAMSON documentation.

Note: SAMSON and all SAMSON Extensions are free for non-commercial use. You can download SAMSON at https://www.samson-connect.net.

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