When exploring molecular systems, molecular modelers often reach a turning point: they need to go beyond viewing and start editing atomistic properties. Whether for preparing simulations, constructing variants of a molecule, or cleaning up input data, changing a molecule’s internal information—such as atom positions or element types—should be intuitive and immediate.
The Inspector in SAMSON is designed to solve exactly this. It offers an efficient way to examine properties of selected molecular elements and make changes where allowed. In this post, we look at how to edit attributes at the atomic level—and how to do it efficiently.
What Is the Inspector?
The Inspector panel in SAMSON displays a structured view of the properties of whatever node(s) you’ve selected, including atoms, residues, bonds, molecules, and more. Attributes are grouped by node type—so if you select an atom, you’ll see attributes corresponding specifically to atoms.
Attributes vary: some are read-only (e.g. atomic weight, element name), while others can be modified. For example, although you can’t change an atom’s weight directly, you can change its element, which automatically adjusts the dependent properties.
How to Access It
You can open the Inspector through:
- Interface > Inspector
- Shortcut: Ctrl+2 (Windows/Linux) or Cmd+2 (Mac)
- The context toolbar that appears when a node is selected
Resetting Attributes
Some editable attributes can be reset to their default values. Hover your mouse over an attribute label. If the cursor changes, double-clicking resets that value.
Editing Multiple Atoms at Once
A common task: moving a group of atoms, say to test structural variants or visualize different conformations. Select multiple atoms and change their positions in the Inspector. By default, their relative movement is preserved.
If you deselect the Relative checkbox, all selected atoms will move to the exact same position—useful in some workflows, but usually not what you want. If in doubt, rely on the built-in history mechanism to undo changes.
Filtering for Efficiency
Dealing with dozens of attributes? Use the filter box at the top of the Inspector to limit results. For example, typing position shows only position-related attributes for selected atoms.
Once filtered, changing an attribute like position is straightforward: just enter a number, and the atom will move accordingly.
Try It Yourself
Whether you’re preparing a complex system or trying out a simple move, the Inspector provides a controlled environment for editing. It’s particularly useful when reviewing and adjusting molecular geometries, preparing ligands, defining mutations, and more.
You can learn more in the documentation.
SAMSON and all SAMSON Extensions are free for non-commercial use. You can download SAMSON at https://www.samson-connect.net.