Mercurial > repos > chemteam > mdanalysis_rdf
comparison angle.py @ 1:0315b541c74d draft
planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 9b44a37fc1a0c338693f54eaf52b582439ca9f0c
author | chemteam |
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date | Thu, 20 Dec 2018 06:48:45 -0500 |
parents | 9bb57bd1fdc8 |
children | 36babbdd7818 |
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0:9bb57bd1fdc8 | 1:0315b541c74d |
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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') |