As a molecular modeler, managing complex systems can often involve juggling multiple selections, comparing different regions of interest, or applying specific operations on subsets of your model. This process can be time-consuming and error-prone. Fortunately, SAMSON introduces a convenient feature called Quick Groups, designed to simplify and accelerate your workflow. If you haven’t explored this yet, let us show you how Quick Groups can save you valuable time and effort while working on molecular designs.
What Are Quick Groups?
Quick Groups are temporary yet powerful tools that let you quickly save and toggle between up to 10 different node selections within your SAMSON document. These unnamed groups are particularly beneficial for tasks such as:
- Retrieving and navigating specific structural elements swiftly.
- Visualizing, analyzing, or comparing different parts of molecular systems.
- Applying transformations or visual models to specific regions of interest.
- Streamlining educational or simulation preparation workflows.
What sets Quick Groups apart is their ease of use and rapid accessibility through simple numeric shortcuts directly in the Document view.
How to Use Quick Groups
Quick Groups are intuitive to use. Here’s a step-by-step guide to assign, switch between, and utilize Quick Groups efficiently:
Assigning Quick Groups
- Start with a selection, for example, a set of residues or molecules you want to group.
- Assign the selection to a Quick Group:
- Mouse method: Hover over an empty Quick Group slot in the Document view and press Shift + click.
- Keyboard method: Press Shift + number (e.g., Shift + 2) to assign the selection to Quick Group 2.
You can create up to 10 Quick Groups (indexed 1 through 10), and each group can be redefined or cleared at any point.
Switching Between Quick Groups
Once Quick Groups are assigned, you can switch between them seamlessly:
- Press the corresponding number key (1, 2, etc.) to select nodes from a Quick Group.
- Click directly on the Quick Group icons within the Document view.
- Double-tap the number key (e.g., 11) to zoom to the selection of that group.
This rapid toggling mechanism makes it especially useful for complex molecular designs, allowing you to fluidly navigate between different parts of your system.
Example Workflow
Here’s an example of how you might use Quick Groups in a project:
- Group 1: Select a ligand and assign it to Quick Group 1.
- Group 2: Select the receptor and assign it to Quick Group 2.
- Group 3: Select water molecules and assign them to Quick Group 3.
- Toggle between these groups using 1, 2, and 3 for quick focus shifts.
- Apply distinct visual models or workflows specific to each group to simplify analysis or preparation for simulations.
Why Quick Groups? More Control, Less Hassle
Quick Groups offer a practical solution for managing selections in SAMSON. Whether you’re working on large molecular assemblies, zooming in on interactions, or scheduling visualizations for presentations, these groups provide fast, dynamic control to streamline your efforts.
Learn more about Quick Groups by visiting the official SAMSON documentation.
SAMSON and all SAMSON Extensions are free for non-commercial use. Get SAMSON at www.samson-connect.net.