Mercurial > repos > chemteam > mdanalysis_distance

comparison ramachandran_plots.py @ 6:aa4090b50e7b draft

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"planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7a25958195ccc8f448dd64ddcc36e8f5e5979d8b"
author chemteam
date Wed, 20 May 2020 13:06:33 -0400
parents 312f912de69d
children ffd6f8d159e1
comparison
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5:d540ea77b909 6:aa4090b50e7b
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')