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Merge pull request #1867 from jamesmkrieger/jmk_waterFinder_2
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fix calcWaterBridgesTraj docs
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karolamik13 authored Apr 16, 2024
2 parents a514a90 + 0fe84e1 commit 58c551b
Showing 1 changed file with 3 additions and 2 deletions.
5 changes: 3 additions & 2 deletions prody/proteins/waterbridges.py
Original file line number Diff line number Diff line change
@@ -475,7 +475,8 @@ def calcWaterBridgesTrajectory(atoms, trajectory, **kwargs):
:arg atoms: Atomic object from which atoms are considered
:type atoms: :class:`.Atomic`
:arg trajectory: trajectory object, DCD or multimodal PDB
:arg trajectory: Trajectory data coming from a DCD or multi-model PDB file.
:type trajectory: :class:`.Trajectory', :class:`.Ensemble`, :class:`.Atomic`
:arg start_frame: frame to start from
:type start_frame: int
@@ -494,7 +495,7 @@ def calcWaterBridgesTrajectory(atoms, trajectory, **kwargs):

# nfi = trajectory._nfi
# trajectory.reset()
numFrames = trajectory._n_csets
# numFrames = trajectory._n_csets

if stop_frame == -1:
traj = trajectory[start_frame:]

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