When studying or designing molecules, inspecting and modifying atom-level properties is a common task. Whether you’re analyzing a structure, preparing it for simulation, or refining specific components, you need fast, intuitive access to molecular attributes.
In SAMSON, the Inspector is the central tool for this. It allows users to view and edit the properties of atoms, bonds, residues, and more — all from a single, easy-to-access panel.
What Can Be Edited (and What Can’t)
Select any atom in your model and open the Inspector (via Interface > Inspector, or with Ctrl+2 on Windows/Linux or Cmd+2 on Mac). You’ll see a list of attributes grouped by type. Some values, like atomic weight or symbol, can’t be changed directly because they depend on the atom’s element. However, you can change the element type, which will automatically update these linked properties.
Editing Positions and Group Behavior
Sometimes, you want to move atoms. In SAMSON, the Inspector not only lets you read atomic positions — but also modify them manually. Select multiple atoms (for example, an entire residue or group), filter the attribute list by typing position, and directly change the values.
If the Relative option is checked (enabled by default), all atoms move while maintaining their geometry. If unchecked, they’ll all snap to the same position — useful for aligning or resetting parts of a structure.
Restoring Default Values
Want to revert a change? Some attributes allow resetting to default values. Just hover over the label and, if the cursor changes, double-click to reset. It’s a handy way to undo changes without using global undo.
Stay Focused with Filtering
The Inspector includes a filtering option that saves time. If you’re only interested in a few parameters (say, Lennard-Jones radii or atomic charge), just type part of the parameter name into the filter bar. Attributes that match will be shown immediately. This keeps your workspace tidy and helps prevent mistakes.
Collaborate and Learn Faster
If you’re working with students, sharing attribute edit workflows can be extremely helpful for teaching concepts like stereochemistry, bond angle manipulation, or residue editing. The Inspector centralizes a lot of this, making it easier to document and reproduce molecular changes.
To explore more details and try examples yourself, view the complete guide in SAMSON’s documentation: https://documentation.samson-connect.net/users/latest/inspecting/
SAMSON and all SAMSON Extensions are free for non-commercial use. Get SAMSON at https://www.samson-connect.net