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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.
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!
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