Mercurial > repos > chemteam > mdanalysis_cosine_analysis
comparison angle.py @ 3:ff1e607d8b2b draft default tip
"planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7a25958195ccc8f448dd64ddcc36e8f5e5979d8b"
| author | chemteam |
|---|---|
| date | Wed, 20 May 2020 16:54:40 +0000 |
| parents | 9e77ecef62bf |
| children |
comparison
equal
deleted
inserted
replaced
| 2:33afe7259c04 | 3:ff1e607d8b2b |
|---|---|
| 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') |
