Mercurial > repos > chemteam > mdanalysis_rdf
comparison angle.py @ 1:935c49339c3b draft
planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 9b44a37fc1a0c338693f54eaf52b582439ca9f0c
| author | chemteam | 
|---|---|
| date | Thu, 20 Dec 2018 06:46:20 -0500 | 
| parents | 24e220d91481 | 
| children | aabf6858f293 | 
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| 0:24e220d91481 | 1:935c49339c3b | 
|---|---|
| 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') | 
