Molecular modeling workflows often involve numerous delicate operations—adding atoms, adjusting geometries, rerunning simulations, and more. But what happens when one step goes wrong or you accidentally overwrite something important? The frustration of not being able to revert to the previous state is something many molecular modelers know well.
Fortunately, SAMSON, the integrative molecular design platform, offers a practical answer: built-in Undo and Redo functionalities. These can help you keep creativity flowing while minimizing costly mistakes. Let’s take a closer look at how to make the most of this feature, especially if you’re working with complex molecular scenes that evolve over time.
Every document has its own history
In SAMSON, each document records its own list of undoable actions. This means your edits, deletions, insertions, and structural changes are registered per document. You don’t have to worry about global edits affecting everything at once—as long as you stay in the same document, your history is cleanly tracked and recoverable.
Visualizing your steps with the History View
Rather than relying solely on keyboard shortcuts, you can visualize your action sequence using the History View. To access it:
- From the menu: go to Interface > History
- Or use keyboard shortcuts:
Ctrl + 3 (Windows/Linux)
Cmd + 3 (Mac)
With this panel, you can not only go back to earlier steps by clicking on specific actions, but also understand what changes were made at each point. This is particularly useful when you’re running an experiment and want to trace your steps back to a specific configuration or decision.
Undoing and redoing made simple
Sometimes, all you need is a quick key press. SAMSON supports classic keyboard shortcuts to Undo and Redo:
- Undo: Ctrl + Z or Cmd + Z
- Redo: Ctrl + Y or Cmd + Y
You can also access these commands from the Edit menu.
These shortcuts can be a real time-saver when you’re iterating on a model or testing different conformations and need to easily switch back and forth between changes without losing track of your work.
But beware: not everything is undoable
One caveat to keep in mind: not all operations in SAMSON are undoable. If you execute a non-undoable action in between undoable ones, the software might not be able to restore earlier steps reliably. This means there’s potential for data loss if you’re not careful.
A tip: perform complex or irreversible operations on duplicated versions of your document or after saving a version manually. That way, you add an extra layer of safety to your workflow.
Whether you’re exploring alternate reaction pathways or adjusting molecular geometries for docking, SAMSON’s history features are there to help you stay on track. Take a moment to explore the History View and try undoing/redong actions the next time you model—it might save your structure (and your time).
To learn more about undo and redo in SAMSON, visit the official documentation page.
Note: SAMSON and all SAMSON Extensions are free for non-commercial use. You can get SAMSON at https://www.samson-connect.net.