When working on complex molecular systems, identifying and modifying specific atomic properties can sometimes feel like searching for a needle in a haystack. Whether you’re adjusting atom positions, verifying assignments, or reviewing node properties across selections, having a fast and intuitive way to dig through numerous attributes is crucial.
This is where SAMSON’s Inspector tool—and more specifically, its attribute filtering feature—comes into play. It lets you focus your attention with precision, saving time and reducing frustration, especially during repetitive analysis or model preparation tasks.
What is the Inspector?
The Inspector in SAMSON displays the attributes of any selected nodes in your molecular system—atoms, bonds, residues, and more. These attributes might include things such as atomic coordinates, velocities, element types, charges, and bonding information.
Depending on what you’ve selected, the Inspector organizes this information by node type and further by attribute groups. This makes it easier to navigate through the data.
The Problem: Too Many Attributes
In practice, even a single node may have dozens of attributes. Add multiple selections into the mix, and scrolling through the Inspector can become time-consuming. If you’re looking to make precision edits as part of a modeling or simulation workflow, the clutter quickly becomes a barrier.
Solution: Attribute Filtering
SAMSON tackles this through attribute filtering in the Inspector. With filtering, you can type part of an attribute’s name (e.g., position), and the Inspector will show only the matching fields.
This is incredibly helpful when you want to:
- Adjust the position of selected atoms without being distracted by other data.
- Check and modify specific properties across selected nodes.
- Explore which attributes are editable versus which are directly dependent on node characteristics (e.g., element name vs. atomic number).
Attribute filtering is also dynamic: as you type, the filtered list updates in real-time. For teams or researchers handling large biomolecular systems or coarse-grained models, this function removes unnecessary steps and improves consistency.
Visual and Interactive Feedback
Filtering isn’t just passive. Once you’ve narrowed down the attributes, you can interact with them immediately. For example, by changing a position attribute value for an atom, you can see it move directly within the workspace.
You can also take advantage of the reset functionality to revert specific attributes to their default value when needed. Just hover over an attribute label, and if the cursor changes, double-click to reset.
Tips for Best Use
- When modifying properties of multiple atoms, ensure the Relative option is checked if you want them to move together while keeping their internal spacing.
- Use filtering to prepare your system before launching more computationally intensive tasks like simulations or energy minimizations.
- Combine filtering with the selection tools to streamline edits across dynamic selections—ideal for trajectories.
Filtering doesn’t just organize your view—it keeps your workflow clear and focused. Small features like this can make a large difference when you’re managing thousands of atoms across diverse macromolecular structures.
To explore more about the Inspector in SAMSON, visit the official documentation: https://documentation.samson-connect.net/users/latest/inspecting/
SAMSON and all SAMSON Extensions are free for non-commercial use. You can get SAMSON at https://www.samson-connect.net.