A package for reading GROMACS .trr files
Project description
pytrr is a python package for reading .trr files from GROMACS.
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])
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pytrr-0.2.0.dev2.tar.gz
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