In molecular modeling, there are many times when one needs to edit or verify specific properties of atoms, bonds, or residues in a structure. Whether adjusting atomic coordinates, validating residue names, or changing selected node attributes, researchers often end up resorting to custom scripts or external tools.
If you’ve ever wished for a faster, visual way to inspect and tweak molecular data—not by writing code, but directly within your modeling environment—SAMSON’s Inspector can help.
A Visual Editor for Molecular Attributes
Once a node (such as an atom, bond, or residue) is selected in SAMSON, the Inspector displays all of its editable and non-editable attributes. This makes it much easier to browse through data, notice inconsistencies, or determine how a change in one attribute (like element type) affects derived values (like atomic weight).
Modifying Atom Positions
A common task in molecular modeling is adjusting atomic positions. With the Inspector, you can select any atom and modify its coordinates directly, observing live updates in the 3D view. Additionally, when multiple atoms are selected, SAMSON offers an option to apply changes relatively (preserving geometry) or absolutely (overwriting to a single value).
This means you can, for instance, reposition a group of atoms while keeping their relative distances intact, all without needing to calculate or run transformations manually.
Resetting Attributes
For user-defined attributes or modified values, the interface allows you to reset them to default values. Simply hover over the label of a modifiable attribute—if the cursor changes, that attribute can be reset by double-clicking the label. It’s a small feature, but very helpful when experimenting with values and needing a quick fallback.
Filtering to Focus
If you’re dealing with complex systems, the number of attributes shown can be overwhelming. Fortunately, a built-in filter tool helps focus your attention on specific properties. If you type “position” in the filter box while atoms are selected, for example, only the relevant coordinates will be shown.
You can then directly edit those coordinates in the text fields next to each attribute, offering precise control over atomic placement.
One Panel, Many Possibilities
SAMSON’s Inspector panel is a versatile utility that bridges the gap between visualization and control. It helps avoid context-switching between visualization and scripting tools and enables researchers to stay focused on molecular insight, not interface complexity.
Whether you’re tweaking coordinates for a docking analysis, verifying residue assignments, or preparing structures for simulation, the Inspector saves time and reduces error by making data transparent and editable, all from a single panel.
To dig deeper into the Inspector’s functions, visit the full documentation page here: 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.