[chimerax-users] Trajectory computation slowing down overtime

[Shubham Devesh Ramgoolam]

Hi all,
I hope you are doing well.

I have a Python script for analyzing specific residue pairs for every frame in a trajectory.
It does so, by using 2 for loops:
For frame in list_frames:
               Set current frame to frame
               For pair in specific_residue_pairs:
                              Do computation

The computation involves defining geometric objects(centroids, axes, planes) and performing calculations with them(distance, angles).
The issue here is that as we move further in list_frames, the computation takes longer and longer. There is a somewhat linear increase in computation time, as illustrated below:

[cid:image003.png at 01D87E37.C872FDF0]

Is there a way to maintain the same computation time for every frame in the trajectory?

Regards,
Shubham Ramgoolam
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