Mercurial > repos > chemteam > mdanalysis_hbonds
comparison distance_single.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 | d23ef0663267 |
children |
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2:d23ef0663267 | 3:5efd0c95f97e |
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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') |