A More Precise Way to Edit Molecular Properties in SAMSON

When building or studying molecular systems, every detail matters — especially when working with atoms, bonds, and residues. Modifying properties like atomic position, element type, or charge for multiple parts of a system can be time-consuming and error-prone if your tools are not precise enough.

This is where the Inspector in SAMSON comes in. The Inspector displays and allows the editing of attributes for selected nodes (atoms, residues, bonds, etc.), helping you make accurate and controlled changes. If you’ve ever wished for a faster way to confirm or apply attribute values, such as repositioning a cluster of atoms or reviewing the properties of a selected residue, this tool is worth a closer look.

Instant Editing, Synchronized Changes

One common task in molecular modeling involves adjusting the positions of atoms. In SAMSON, when you select multiple atoms and change the position value in the Inspector, all selected atoms can be moved simultaneously. By default, the relative positions between atoms are preserved. This is extremely useful when moving molecular fragments as a group.

Inspecting multiple atoms

Want to give them all the same position instead? Just uncheck the Relative option in the Inspector. This sets every atom’s position to the same coordinates, essentially merging them to a point. It’s a quick way to standardize geometry or create initialization setups for simulations.

Change positions for multiple atoms

Filtering: Find What You Need

Large molecular systems come with long lists of attributes — and scrolling through them wastes time. The Inspector lets you filter attributes in real-time. For example, by typing position into the filter bar, only position-related attributes will appear. This helps keep your workflow focused and efficient.

Filtering attributes

Interactive by design, the Inspector also updates your model live. When you enter a new value for an atom’s coordinate, it moves instantly — visual feedback helps you confirm changes without committing them blindly.

Changing attributes

Undo Without Worry

Accidental changes are common — but SAMSON’s history mechanism lets you undo any step. You can safely explore modifications, knowing that every move is reversible. This makes the Inspector not just powerful, but also forgiving.

Try It: Edit, Filter, Experiment

Attribute editing in SAMSON is more than just a utility — it’s a way to work faster and with more confidence. Whether you want to realign a ligand, optimize geometry, or visualize alternative configurations, the Inspector gives you precise control.

Explore more editing possibilities by visiting the Inspector documentation page.

SAMSON and all SAMSON Extensions are free for non-commercial use. You can download SAMSON at www.samson-connect.net.

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