Anyone who has spent time designing or simulating molecular systems knows the frustration of making a change—perhaps moving an atom, deleting a node, or applying a modification—only to instantly realize it wasn’t the right move. In larger or more complex molecular designs, that kind of error can be hard to reverse manually—worse, it might go unnoticed until it’s too late. This is where SAMSON’s History view comes in: it provides a powerful way to review and step back through your molecular modeling work, action by action.
SAMSON, the integrative platform for molecular design, helps minimize these frustrations by letting users undo and redo almost every action carried out during a modeling session. Whether you’re building large protein-ligand complexes, tweaking molecular structures, or running geometry optimizations, history tracking allows you to experiment comfortably—knowing that you can always go one step (or many steps) back.
How it works
Every document opened or created in SAMSON has its own independent history. This means your undo/redo is scoped to the specific document you’re working on, which is important if your workflow involves handling multiple molecular systems in parallel.
The History view provides a visual timeline of your modeling actions and can be accessed in two ways:
- From the top menu:
Interface > History - Using keyboard shortcuts:
Ctrl + 3on Windows/Linux orCmd + 3on macOS
Once open, the history panel displays a linear list of modifications you’ve made to your document. These could range from basic editing steps like adding atoms to more complex operations like geometry changes or simulation runs.
Undo and Redo, precisely when you need them
Within the Edit menu or using your keyboard, you can:
- Undo:
Ctrl + ZorCmd + Z - Redo:
Ctrl + YorCmd + Y
You can also click directly on specific actions in the History view to go to a particular state in your design. This is especially useful when trying different variations and wanting to compare outcomes over time.
A few things to keep in mind
Most—but not all—operations are undoable. Certain events, such as external imports or plugin-specific actions, might not support undoing. If non-undoable operations mix with others in your action list, they can prevent a proper rollback and potentially result in lost changes. It’s a good habit to save versions of your project as you go.
Why this matters for molecular modelers
Flexibility matters. When you’re dealing with complex interactions, exploring hypotheses, or testing simulation boundaries, you need to focus on your science—not on managing errors. The History view reduces friction and fear of irreversible mistakes. It encourages creative modeling, safe iteration, and exploration. You can experiment freely, knowing that every change is documented and reversible.
If you design molecular systems, review conformations, or test countless variations during discovery work, this feature can significantly enhance your workflow and confidence.
To explore more, visit the full documentation page: https://documentation.samson-connect.net/users/latest/history/
SAMSON and all SAMSON Extensions are free for non-commercial use. You can download SAMSON at https://www.samson-connect.net