Editing Molecular Properties with the Inspector in SAMSON

Anyone working with molecular models knows how challenging it can be to edit atom properties efficiently—especially when dealing with large structures. In many tools, attributes are scattered or hard to access, leading to a cumbersome process of trial and error. In SAMSON, the Inspector offers a focused and structured approach to viewing and editing a node’s attributes. Whether you’re fine-tuning a single atom or coordinating a group transformation, the Inspector is your go-to interface.

This article explores how you can use the SAMSON Inspector to streamline attribute editing and empower yourself to modify structural properties interactively and precisely.

Why Use the Inspector?

The Inspector allows for real-time inspection and editing of the attributes associated with selected molecular nodes in your model. These nodes might be atoms, residues, or even more complex groupings. When you select multiple nodes, the Inspector intelligently groups and displays attributes by node type—for example, you might see Atom, Bond, and Residue groups all simultaneously if you’ve selected complex molecular sections.

Inspecting a group of nodes: a residue with all its descendants selected

A particularly helpful behavior: when multiple nodes of the same type are selected, the Inspector shows values for the last selected node, but any modification you apply will affect all selected nodes of the same type. This is useful for coordinated editing, such as aligning atom positions or resetting values across a chain.

Modifying and Resetting Attributes

The attributes of nodes in SAMSON come in two flavors—editable and non-editable. For example, you cannot edit an atom’s atomic weight or symbol directly because these are inherently linked to the element type. However, changing the element type will automatically update dependent attributes like the atomic weight and symbol.

Want to revert a changed attribute back to its original state? Double-click its label in the Inspector. The tooltip will change when it’s available for reset.

Reset attribute to its default value

Transforming Multiple Atoms Simultaneously

Need to reposition a group of atoms together? With multiple selections, you can change their position from the Inspector. Just make sure the Relative checkbox is active. This ensures atoms maintain their spatial relationships.

If you uncheck Relative, all selected atoms will be moved to the exact same coordinates—which may or may not be what you want depending on your task. Don’t worry, changes are undoable thanks to SAMSON’s built-in history feature.

Inspecting multiple atoms
Inspecting multiple atoms: change positions

Find What You Need Quickly: Attribute Filtering

Working with structures with a large number of properties? Use the Inspector’s filtering tool to narrow down visible attributes. If you’re looking to change atomic positions, simply type position in the filter bar and related fields will appear in context.

Filtering attributes

This also minimizes scrolling and makes editing much faster, especially when working with large selections or complex nodes.

Changing attributes

Whether you’re adjusting a single atom or curating a residue’s group structure, the Inspector gives you clarity, control, and precision.

To learn more, visit the original documentation page at 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.

Comments are closed.