pytrr 0.3.0

A package for reading GROMACS .trr files

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])