For molecular modelers, adjusting the properties of molecular structures can often be a highly detailed process, requiring precision and control. What if there was a more intuitive way to view, edit, and reset these properties in a structured and visually clear manner? The Inspector tool in SAMSON offers exactly this functionality, making it an essential feature for anyone working in molecular design.
Why the Inspector Matters
In molecular modeling, understanding and modifying the properties of individual atoms, bonds, residues, or even groups of nodes is a common task. Whether you’re trying to refine a molecular structure, test hypotheses, or set up simulations, tweaking these properties accurately can save significant time and reduce errors. The Inspector in SAMSON simplifies this process, allowing users to interactively inspect and edit attributes with minimal effort.
Getting Started with the Inspector
Opening the Inspector is simple and can be done in several ways:
- Interface > Inspector
- Using the shortcut: Ctrl+2 on Windows and Linux or Cmd+2 on Mac
- Accessing it via the context toolbar of a selection
Once open, the Inspector dynamically displays the attributes of your selection, whether it’s a single entity or a group. For example, selecting an atom will reveal its attributes (element type, position, etc.), grouped into categories for clarity. Selecting multiple nodes reveals the attributes for the entire group.
What Can Be Edited?
Not all attributes are editable, but many are. For instance, while an atom’s atomic weight, element name, and symbol are immutable (as they are defined by the element type), you can modify the element type itself. When you make such changes, dependent attributes are automatically updated, ensuring that dependencies are maintained throughout.
Here’s a particularly useful tip: some attributes have default values. If you’d like to reset an attribute to its default value, hover over the attribute’s label until the cursor changes, as shown below. A quick double-click resets the value seamlessly.
Working with Groups
The Inspector is not limited to single nodes. When working with groups, all applicable attributes are displayed. For example, when selecting multiple atoms, you can modify their positions either individually or as a relative group. To move the group without altering the relative positions of atoms within it, ensure the Relative option is checked. Unchecking this option will set all selected atoms to the same position. Here’s a visual example:
And don’t worry about trial and error—SAMSON’s history mechanism allows you to undo changes effortlessly!
Filtering for Precision
When working with complex molecules, scrolling through an exhaustive list of attributes can feel overwhelming. That’s where the filter feature in the Inspector shines. Simply type the name of the attribute you’re interested in, such as position, to highlight relevant attributes instantly.
Now, try editing a filtered attribute—for instance, tweak an atom’s position. Observe how the corresponding structural visualization adjusts in real time. Here’s an example:
Conclusion
Whether you’re optimizing molecular models, conducting simulations, or exploring new designs, the Inspector in SAMSON provides a precise and user-friendly way to interact with molecular properties. Its ability to streamline property editing, manage groups, and filter attributes ensures that the tool is both highly functional and accessible—perfectly tailored to the needs of modern molecular modeling.
To learn more about how to use the Inspector, head over to the official documentation page.
Note: SAMSON and all SAMSON Extensions are free for non-commercial use. Download SAMSON today at www.samson-connect.net.