Mercurial > repos > chemteam > mdanalysis_angle
comparison angle.py @ 1:231a8ddd34c6 draft
planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 9b44a37fc1a0c338693f54eaf52b582439ca9f0c
| author | chemteam |
|---|---|
| date | Thu, 20 Dec 2018 06:47:31 -0500 |
| parents | b9e9c07a016d |
| children | 8a5c112aa0f1 |
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| 0:b9e9c07a016d | 1:231a8ddd34c6 |
|---|---|
| 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') |
