When working with detailed molecular models, having quick access to key atomic properties can save time and boost confidence in the analysis. One such property is the formal charge of atoms – a fundamental aspect of understanding reactivity, resonance, and electrostatics.
But here’s the thing: constantly clicking around in computational chemistry interfaces or even switching between tools just to double-check atom charges can be a real workflow bottleneck. Wouldn’t it be more efficient if you could simply see those charges directly on the model, in the viewport?
In SAMSON, you can do exactly that with the help of labels. More specifically, SAMSON allows you to visually annotate atoms with their formal or partial charges using its integrated labeling features.
How to add formal charge labels
To label atoms with their formal charges in SAMSON, follow these steps:
- Select the atoms you are interested in – this can be done directly in the viewport using standard selection tools.
- Right-click or use the context toolbar (shown below) to bring up labeling options.
- Click on the label icon
and choose Label > Add label to… > Atoms (formal charges).
This will add visual labels showing the formal charges directly on each selected atom.
Why this becomes useful
By adding charge labels:
- You can instantly verify charge distributions on ions or resonant structures.
- You avoid misinterpretation of valence problems by having a clear indication of unbalanced electrons.
- You improve the clarity and communication of your models in presentations or collaborative work.
And since labels in SAMSON are linked to the underlying atoms, they update automatically as you change your molecular system – for example during minimization.
More control with less effort
If needed, you can customize these labels further – from text color to font size – using the Inspector. You can even specify default formatting options under Preferences > Rendering > Labels to ensure consistency across large projects.
Labels are especially useful when preparing figures for reports, since they remain visible at all zoom levels. You can choose to keep them temporary (which update automatically and disappear after the next measurement), or save them permanently in the document for future use and export.
To explore more about measuring in SAMSON, read the full documentation at https://documentation.samson-connect.net/users/latest/measuring/.
SAMSON and all SAMSON Extensions are free for non-commercial use. You can get SAMSON at https://www.samson-connect.net.