Mercurial > repos > chemteam > mdanalysis_dihedral

comparison angle.py @ 6:43b6db6e6955 draft default tip

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"planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7a25958195ccc8f448dd64ddcc36e8f5e5979d8b"
author chemteam
date Wed, 20 May 2020 16:56:33 +0000
parents 4c431a33590e
children
comparison
equal deleted inserted replaced
5:86e32cac6f9a 6:43b6db6e6955
5 import sys 5 import sys
6 6
7 import MDAnalysis as mda 7 import MDAnalysis as mda
8 8
9 import matplotlib 9 import matplotlib
10 matplotlib.use('Agg') # noqa
11 import matplotlib.pyplot as plt 10 import matplotlib.pyplot as plt
12 11
13 import numpy as np 12 import numpy as np
14 from numpy.linalg import norm 13 from numpy.linalg import norm
14
15 matplotlib.use('Agg') # noqa
15 16
16 17
17 def parse_command_line(argv): 18 def parse_command_line(argv):
18 parser = argparse.ArgumentParser() 19 parser = argparse.ArgumentParser()
19 parser.add_argument('--itraj', help='input traj') 20 parser.add_argument('--itraj', help='input traj')