Mercurial > repos > chemteam > mdanalysis_rdf

diff rdf.py @ 1:935c49339c3b draft

Find changesets by keywords (author, files, the commit message), revision number or hash, or revset expression.
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
line wrap: on
line diff
--- a/rdf.py	Mon Oct 08 12:41:51 2018 -0400
+++ b/rdf.py	Thu Dec 20 06:46:20 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')