When modeling complex molecular structures, you often need to make small adjustments to multiple atoms at once. Whether it’s repositioning a selection as a group, editing element types, or filtering through many atomic properties, doing this efficiently can save valuable time and reduce errors.
In SAMSON, the Inspector provides a practical way to modify attributes of selected nodes, including atoms, bonds, residues, and more. Here’s how you can use it specifically to modify atomic attributes—especially positions—without accidentally affecting the relative geometry of your selection.
Moving Multiple Atoms: What to Know
Suppose you’ve selected several atoms in a molecule. You’d like to reposition them all, but maintain their structure relative to one another. The SAMSON Inspector helps with this. When you select multiple nodes of the same type (like atoms), it shows the attribute values of the last selected node. But any edits you make will apply to all selected nodes of that type. For positional coordinates, this means:
- If the Relative option is ON: All atoms move together, preserving their internal arrangement—perfect for rigid body translations.
- If the Relative option is OFF: All atoms snap to the same specified position, collapsing into a single point 😬.
Filtering Attributes to Stay Focused
The Inspector is highly customizable. When working with large selections, you might struggle to find the attribute you need to change. Use the filter box to narrow down the list of visible attributes. This is especially useful for attributes like position, element, charge, or any custom data attached to the atoms.
Start typing the attribute name in the filter bar:
Once you’ve located the target attribute, you can safely make your changes—all other information remains hidden, reducing clutter and improving focus.
Resetting Values: A Helpful Safety Net
Mistyped an attribute or not sure what value to revert to? Many attributes can be reset to their default. Just hover your mouse over the attribute label; if the cursor changes into a special icon, double-clicking resets it. This makes experimentation less risky.
Undo Is Always Available
If things go wrong, don’t worry. Every change made through the Inspector can be undone using SAMSON’s built-in history mechanism. Try changing attributes freely—you’re not locked into a path.
Try It Yourself
To use the Inspector:
- Go to Interface > Inspector
- Or use the shortcut Ctrl+2 (Windows/Linux) or Cmd+2 (Mac)
- Or access it via the selection’s context toolbar
Managing attributes for multiple atoms at once doesn’t have to be repetitive or error-prone. With the Inspector, you can apply controlled changes confidently and explore variations in your molecular models.
To learn more, visit the full documentation: 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.