Hi Shubham, Defining those geometric objects creates models. Are you closing those models at the end of each frame? --Eric Eric Pettersen UCSF Computer Graphics Lab
On Jun 11, 2022, at 11:21 PM, Shubham Devesh Ramgoolam via ChimeraX-users <chimerax-users@cgl.ucsf.edu> wrote:
I just wanted to specify that I am using the nogui mode of chimeraX for the computation. Shubham.
From: Shubham Devesh Ramgoolam Sent: June 12, 2022 1:38 AM To: chimerax-users@cgl.ucsf.edu <chimerax-users@cgl.ucsf.edu> Subject: Trajectory computation slowing down overtime
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:
<E0E35EA38D4345BE98A480EB08BE8CEC.png>
Is there a way to maintain the same computation time for every frame in the trajectory?
Regards, Shubham Ramgoolam Sent from Mail <https://go.microsoft.com/fwlink/?LinkId=550986> for Windows
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