A package for reading GROMACS .trr files
Project description
pytrr
pytrr is a python package for reading .trr [1] files from GROMACS [2].
pytrr is intended as a lightweight, pure python, library for reading .trr trajectories and it gives access to positions, velocities, etc. as numpy arrays.
Example
from pytrr import GroTrrReader
with GroTrrReader('traj.trr') as trrfile:
for frame in trrfile:
print(frame['step'])
frame_data = trrfile.get_data()
print(frame_data['x'][0])
Installation
pytrr can be installed via pip:
pip install pytrr
References
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