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AttributeError: module 'prody.trajectory' has no attribute '_n_csets' #2010

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rgumpper opened this issue Dec 2, 2024 · 1 comment
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@rgumpper
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rgumpper commented Dec 2, 2024

Hello, Thank you very much for your work on prody, it is highly useful! I am using the caseStudy4b notebook from WatFinder tutorial to run the code on my own data.

I am running into the following error and cannot seem to find a way to trouble shoot it (I have v2.4.1 installed via pip in a conda environment).

This occurs when running:
waterBridges = calcWaterBridgesTrajectory(coords_traj, trajectory, method='chain')

The parsePDB and parseTrajectory successfully run before this.

The entirety of the error is below.

`AttributeError Traceback (most recent call last)
in ()
----> 1 waterBridges = calcWaterBridgesTrajectory(coords_traj, trajectory, method='chain')

/home/exx/.conda/envs/md_pipeline/lib/python3.7/site-packages/prody/proteins/waterbridges.py in calcWaterBridgesTrajectory(atoms, trajectory, **kwargs)
486 # nfi = trajectory._nfi
487 # trajectory.reset()
--> 488 numFrames = trajectory._n_csets
489
490 if stop_frame == -1:

AttributeError: module 'prody.trajectory' has no attribute '_n_csets'`

Any help would be greatly appreciated!

@jamesmkrieger
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Hello,

You are using an old version of the code. Please update to the latest prody from github and see if this fixes the problem.

The current code has this line commented out and is using a different mechanism for counting frames.

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