Mercurial > repos > chemteam > mdanalysis_ramachandran_plot
comparison ramachandran_plots.py @ 3:8bd0e29927da draft
"planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7a25958195ccc8f448dd64ddcc36e8f5e5979d8b"
| author | chemteam |
|---|---|
| date | Wed, 20 May 2020 13:03:30 -0400 |
| parents | ce0728b92289 |
| children | 70a2d548e62c |
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| 2:b348dfa55e0a | 3:8bd0e29927da |
|---|---|
| 7 | 7 |
| 8 import MDAnalysis as mda | 8 import MDAnalysis as mda |
| 9 from MDAnalysis.lib.distances import calc_dihedrals | 9 from MDAnalysis.lib.distances import calc_dihedrals |
| 10 | 10 |
| 11 import matplotlib | 11 import matplotlib |
| 12 matplotlib.use('Agg') # noqa | |
| 13 import matplotlib.pyplot as plt | 12 import matplotlib.pyplot as plt |
| 14 | 13 |
| 15 import numpy as np | 14 import numpy as np |
| 16 | 15 |
| 17 import seaborn as sns | 16 import seaborn as sns |
| 17 | |
| 18 matplotlib.use('Agg') # noqa | |
| 18 | 19 |
| 19 | 20 |
| 20 def parse_command_line(argv): | 21 def parse_command_line(argv): |
| 21 parser = argparse.ArgumentParser() | 22 parser = argparse.ArgumentParser() |
| 22 parser.add_argument('--itraj', help='input traj') | 23 parser.add_argument('--itraj', help='input traj') |
