Mercurial > repos > chemteam > mdanalysis_hbonds
comparison angle.py @ 3:5efd0c95f97e draft
"planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7a25958195ccc8f448dd64ddcc36e8f5e5979d8b"
author | chemteam |
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date | Wed, 20 May 2020 13:05:00 -0400 |
parents | 5c38e38dbc35 |
children |
comparison
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2:d23ef0663267 | 3:5efd0c95f97e |
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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') |