For many molecular modelers, the ability to visualize atomic movements over time is essential. Whether you’re simulating a docking interaction, assembling molecules, or running molecular dynamics, understanding how atoms travel during a simulation is crucial. But what if you want to reuse this atomic trajectory in a different context, or extract it for further analysis?
This is where the Record path animation in SAMSON becomes especially helpful. It lets you capture trajectories during a presentation and convert them into usable data — a Path node — that can be exported and manipulated separately. If you’ve ever wished you could easily export a visually-generated trajectory without scripting custom tools or re-running simulations, this feature may save you time and effort.
Recording Trajectories Visually
Record path works by monitoring how atoms move during animations. Compatible with position-changing animations like Assemble, Dock, Move atoms, and Simulate, it creates a new track in your animation timeline. As the animation plays, this track logs the atom positions at every frame. Here’s what to expect:
- A green segment in the track means positions have been successfully recorded.
- A red segment means positions are either not yet recorded, or are no longer valid due to later changes.
To start recording:
- Double-click on Record path in the Animation panel.
- Position the keyframe in the animation timeline.
- Play the presentation — the track updates in real-time.
Tip: Since the animator executes tracks from top to bottom, be sure to place Record path after the animations that modify atom positions. You can also move keyframes at any time.
Extracting the Path Node
Once the entire track turns green — indicating a complete recording — you can generate a Path node for further use. This is useful if you want to:
- Use the trajectory for playback in reverse.
- Run an object along the path for visual inspection.
- Export the path for external processing.
There are two simple ways to create this Path node:
- Click on Create path in the Inspector.
- Or, right-click on the Record path item in the Animator and select Create path.
After this, the path is no longer just a visual artifact — it becomes a data object in your document, ready for export or further animations.
Performance Notes
While developing your animation, you may want to temporarily disable recording to conserve resources. This can be done through the Inspector or by right-clicking the animation and toggling Enable recording. When disabled, the control items appear darkened so you can easily track the change.
Conclusion
Instead of treating molecular animations as one-off visuals, you can now turn them into reusable, analyzable paths with just a few clicks. It’s a lightweight but practical step toward making your modeling sessions more productive — especially when working with presentations or multi-step simulations.
To learn more, visit the full documentation on this feature: https://documentation.samson-connect.net/users/latest/animations/record-path/
SAMSON and all SAMSON Extensions are free for non-commercial use. You can get SAMSON at https://www.samson-connect.net.