When modeling molecular systems, a recurring frustration among researchers is having to remeasure distances, angles, or torsions each time the system changes or is reopened. Whether you’re analyzing bond lengths after a minimization or monitoring torsion angles in a conformational sampling study, you need a reliable way to store and track key molecular measurements through your workflow.
That’s where the labeling system in SAMSON can significantly help. Instead of transient, visual-only measurements, SAMSON lets you save measurements as labels associated with specific atoms or bonds in your system. These measurement labels follow your structure: they remain visible, can be customized, and are even stored along with your document.
Temporary vs. Persistent Measurements
Measurements made using the Measure editor can be transient or saved permanently. By default, when you e.g. click two atoms to display a distance, it appears temporarily in the Viewport and disappears when the next measurement is made. This is convenient for quick checks — but not for tracking results over time.
Pressing Enter after making a measurement converts it into a label in the document. You can add as many labels as needed, and they’ll be stored and continuously updated as the molecule evolves, for example during interactive minimization or when using Move editors.
Measuring More Than Distances
- Click one bond: show bond length
- Click two atoms: show interatomic distance
- Click three atoms: show bond angle
- Click four atoms: show dihedral torsion
Each of these can be saved as a label. These labels aren’t just visible — they’re interactive.
Going Further: Inspect and Customize
Once a label is saved, you can select it and view its properties in the Inspector. This gives access to linked atoms, projection data, and full appearance customization:
- Change line colors for distances, angles, and torsions
- Modify text color and size
- Select different fonts
Want to return to the default colors? Just double-click on the color field in the Inspector, or use the "X" button next to text color. Everything is made to be quick and intuitive.
Saving Labels in Documents
Labels persist when you save your work in the .sam or .samx formats. This means you can close and reopen your project and all saved measurements will still be there.
Whether you’re monitoring changes during conformational optimization or illustrating key bond properties in a publication, persistent measurement labels save time and improve clarity.
Formal and Partial Charges
SAMSON also enables you to display atomic charges as labels. From the context toolbar, you can add labels with formal charges to selected atoms:
Controlling Preferences
Via Preferences > Rendering > Labels, you can globally define the styling of labels, including the number of decimal places for distances and angles. This prevents visual clutter and keeps the viewport focused on the relevant details.
Measurement labels in SAMSON are a simple yet powerful feature. They ensure consistent data visualization, streamline documentation, and enhance your ability to focus on insights instead of repetitive actions.
To learn more, see the full documentation page here: https://documentation.samson-connect.net/users/latest/measuring/
SAMSON and all SAMSON Extensions are free for non-commercial use. Download the platform at https://www.samson-connect.net.