Mercurial > repos > chemteam > mdanalysis_distance

diff rdf.py @ 1:2b1434ec8c7e draft

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planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 9b44a37fc1a0c338693f54eaf52b582439ca9f0c
author chemteam
date Thu, 20 Dec 2018 06:48:23 -0500
parents c33b972fe040
children 312f912de69d
line wrap: on
line diff
--- a/rdf.py	Mon Oct 08 13:16:12 2018 -0400
+++ b/rdf.py	Thu Dec 20 06:48:23 2018 -0500
@@ -8,12 +8,11 @@
 from MDAnalysis.analysis.rdf import InterRDF
 
 import matplotlib
+matplotlib.use('Agg')  # noqa
 import matplotlib.pyplot as plt
 
 import numpy as np
 
-matplotlib.use('Agg')
-
 
 def parse_command_line(argv):
     parser = argparse.ArgumentParser()
@@ -64,6 +63,6 @@
     time = [xtmp[0] for xtmp in data]
     rdf = [xtmp[1] for xtmp in data]
     plt.plot(time, rdf)
-    plt.xlabel('r ($\AA$)')
+    plt.xlabel(r'r ($\AA$)')
     plt.ylabel('g(r)')
     plt.savefig(args.ordf_plot, format='png')