Mercurial > repos > chemteam > mdanalysis_dihedral

comparison angle.py @ 1:cc1d22357daf 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 06:49:06 -0500
parents f95d4348ed7c
children d8178fe9aaff
comparison
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0:f95d4348ed7c 1:cc1d22357daf
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')