Molecular modeling often involves dealing with complex systems with numerous nodes, from atoms to residues and entire molecular structures. Navigating and managing these elements can be time-consuming, especially when repeatedly targeting specific selections for analysis or visualization. Enter Quick Groups, a feature in SAMSON designed to simplify and accelerate this process.
What are Quick Groups?
Quick Groups allow users to rapidly save and switch between multiple selections in a SAMSON document. These selections are temporary, unnamed groups accessible at the lower section of the Document view. Whether you’re a researcher designing molecular structures, preparing simulations, or educating others about molecular dynamics, Quick Groups can make your tasks more efficient and intuitive.
This feature is perfect for:
- Quickly retrieving and navigating between essential structural elements.
- Designing or analyzing complex molecular systems.
- Applying distinct visual models or transformations to specific sections of a molecule.
- Streamlining visualization, simulation preparation, or presentations.
Think of Quick Groups as your “control groups,” enabling seamless toggling between areas of interest with simple numeric shortcuts.
How to Assign Quick Groups
Setting up Quick Groups is straightforward:
- Make a selection: Choose atoms, residues, or other nodes.
- Assign your selection to a Quick Group:
- Mouse method: Hover over a Quick Group slot in the Document view and press Shift + click.
- Keyboard method: Press Shift + a number (e.g., Shift + 2 to assign to Quick Group 2).
You can assign up to 10 Quick Groups, indexed 1–10. These groups can be redefined or cleared as needed, making Quick Groups perfect for iterative workflows.
Switching Between Quick Groups
Once groups are assigned, toggling between them is efficient:
- Numeric shortcuts: Press 1, 2, etc., to switch selection to Quick Group 1, 2, etc.
- Click directly: Use the Quick Group icons in the Document view.
- Zoom to selection: Double-press a number key (e.g., 1 twice) to zoom into that group.
This flexibility makes Quick Groups incredibly intuitive, especially for modeling workflows requiring frequent selection toggling, comparisons, and visualizations.
Example Molecular Modeling Workflow
Here’s how Quick Groups can enhance your workflow:
- Select the ligand and assign it to Quick Group 1.
- Select the receptor and assign it to Quick Group 2.
- Select water molecules and assign them to Quick Group 3.
- Toggle between them using keys 1, 2, and 3.
- Apply distinct visualizations or transformations to each group.
By letting you instantly jump between selections and apply specific actions or views, Quick Groups can save significant time when working on detailed molecular designs.
Learn More
Quick Groups are just one feature of SAMSON’s comprehensive molecular modeling toolkit. To dive deeper into managing selections, including detailed instructions and related tools, visit the SAMSON Selecting Documentation.
Note: SAMSON and all SAMSON Extensions are free for non-commercial use. Get SAMSON today at www.samson-connect.net.