When modeling complex molecular systems, small adjustments to atomic properties — such as positions, element types, or custom user-defined attributes — can have a significant impact on stability, interactions, or simulation outcomes. For both beginners and experienced molecular designers, there’s a common challenge: how to efficiently inspect and modify structural data without losing track of atom types, residue groups, or the overall structure.
The Inspector in SAMSON offers a practical solution. Whether you’re changing the position of atoms, editing node attributes, or exploring residue-level properties, the Inspector provides a clear, grouped interface that reflects your current selection. This blog post highlights how you can use it to streamline your workflow — especially when working with multiple molecular entities.
Understanding Node Attributes
All objects in SAMSON — atoms, residues, bonds, etc. — are referred to as nodes. Selecting any node activates the Inspector panel, which then displays its editable and non-editable attributes. For example, if you select a single atom, you can view and edit its position directly, while elemental properties (like atomic weight or symbol) are locked, as they depend on the selected element type.
When multiple nodes are selected — for example, an entire residue and its descendant atoms — the Inspector automatically organizes attributes into groups based on node type. This visual grouping helps you keep track of what you’re modifying, especially when structures get complex.
Editing Attributes for Multiple Atoms
This is where the Inspector truly shines. Suppose you’ve selected a group of atoms and you wish to adjust their coordinates. Instead of manually editing each atom, simply open the Inspector and modify the position field. SAMSON will apply the change to all nodes of that type, keeping the Relative position option in mind.
If you leave Relative checked, atoms retain their spatial relationships but move as a group. If it’s unchecked, all selected atoms snap to the same position — a small but powerful distinction that can prevent accidental structural distortions.
Resetting Attributes
Sometimes, a small change turns out to be the wrong call. Instead of undoing multiple steps, the Inspector lets you reset individual attributes to their default values. Just hover over the label until your cursor changes, then double-click to revert.
Quick Filtering for Productivity
When dealing with complex systems, scrolling through dozens of attributes can be time-consuming. The attribute filter makes this easier: simply begin typing a keyword (like position) and the Inspector narrows the view to only matching items.
This makes it easier to focus on the relevant parameters, especially useful for editing, debugging, or preparing structures for export.
Conclusion
The Inspector panel in SAMSON is not just a viewer – it’s an efficient editor for molecular properties. Whether changing a single atom’s position or adjusting attributes across a group of residues, its grouped and filtered views save time while keeping your design organized.
If you’re regularly modeling molecular structures, mastering the Inspector will significantly reduce repetitive tasks.
To learn more, head over to the full documentation page: 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.