Mercurial > repos > chemteam > mdanalysis_distance

comparison distance_single.py @ 6:aa4090b50e7b draft

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"planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7a25958195ccc8f448dd64ddcc36e8f5e5979d8b"
author chemteam
date Wed, 20 May 2020 13:06:33 -0400
parents d540ea77b909
children
comparison
equal deleted inserted replaced
5:d540ea77b909 6:aa4090b50e7b
4 import sys 4 import sys
5 5
6 import MDAnalysis as mda 6 import MDAnalysis as mda
7 7
8 import matplotlib 8 import matplotlib
9 matplotlib.use('Agg') # noqa
10 import matplotlib.pyplot as plt 9 import matplotlib.pyplot as plt
11 10
12 import numpy as np 11 import numpy as np
12
13 matplotlib.use('Agg') # noqa
13 14
14 15
15 def parse_command_line(argv): 16 def parse_command_line(argv):
16 parser = argparse.ArgumentParser() 17 parser = argparse.ArgumentParser()
17 parser.add_argument('--itraj', help='input traj') 18 parser.add_argument('--itraj', help='input traj')