Mercurial > repos > chemteam > mdanalysis_angle

comparison angle.py @ 1:4759026f6ff4 draft

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planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 9b44a37fc1a0c338693f54eaf52b582439ca9f0c
author chemteam
date Thu, 20 Dec 2018 06:49:33 -0500
parents fc7293c6cb6a
children e7d0075052c9
comparison
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0:fc7293c6cb6a 1:4759026f6ff4
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
10 import matplotlib.pyplot as plt 11 import matplotlib.pyplot as plt
11 12
12 import numpy as np 13 import numpy as np
13 from numpy.linalg import norm 14 from numpy.linalg import norm
14
15 matplotlib.use('Agg')
16 15
17 16
18 def parse_command_line(argv): 17 def parse_command_line(argv):
19 parser = argparse.ArgumentParser() 18 parser = argparse.ArgumentParser()
20 parser.add_argument('--idcd', help='input dcd') 19 parser.add_argument('--idcd', help='input dcd')