changeset 3:9a3a1f698fc6 draft

"planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7a25958195ccc8f448dd64ddcc36e8f5e5979d8b"
author chemteam
date Wed, 20 May 2020 13:03:58 -0400
parents e39bc1f90d8f
children a842da7ef42b
files angle.py dihedrals.py distance_single.py ramachandran_plots.py rdf.py
diffstat 5 files changed, 10 insertions(+), 5 deletions(-) [+]
line wrap: on
line diff
--- a/angle.py	Thu Feb 06 19:41:02 2020 -0500
+++ b/angle.py	Wed May 20 13:03:58 2020 -0400
@@ -7,12 +7,13 @@
 import MDAnalysis as mda
 
 import matplotlib
-matplotlib.use('Agg')  # noqa
 import matplotlib.pyplot as plt
 
 import numpy as np
 from numpy.linalg import norm
 
+matplotlib.use('Agg')  # noqa
+
 
 def parse_command_line(argv):
     parser = argparse.ArgumentParser()
--- a/dihedrals.py	Thu Feb 06 19:41:02 2020 -0500
+++ b/dihedrals.py	Wed May 20 13:03:58 2020 -0400
@@ -8,11 +8,12 @@
 from MDAnalysis.lib.distances import calc_dihedrals
 
 import matplotlib
-matplotlib.use('Agg')  # noqa
 import matplotlib.pyplot as plt
 
 import numpy as np
 
+matplotlib.use('Agg')  # noqa
+
 
 def parse_command_line(argv):
     parser = argparse.ArgumentParser()
--- a/distance_single.py	Thu Feb 06 19:41:02 2020 -0500
+++ b/distance_single.py	Wed May 20 13:03:58 2020 -0400
@@ -6,11 +6,12 @@
 import MDAnalysis as mda
 
 import matplotlib
-matplotlib.use('Agg')  # noqa
 import matplotlib.pyplot as plt
 
 import numpy as np
 
+matplotlib.use('Agg')  # noqa
+
 
 def parse_command_line(argv):
     parser = argparse.ArgumentParser()
--- a/ramachandran_plots.py	Thu Feb 06 19:41:02 2020 -0500
+++ b/ramachandran_plots.py	Wed May 20 13:03:58 2020 -0400
@@ -9,13 +9,14 @@
 from MDAnalysis.lib.distances import calc_dihedrals
 
 import matplotlib
-matplotlib.use('Agg')  # noqa
 import matplotlib.pyplot as plt
 
 import numpy as np
 
 import seaborn as sns
 
+matplotlib.use('Agg')  # noqa
+
 
 def parse_command_line(argv):
     parser = argparse.ArgumentParser()
--- a/rdf.py	Thu Feb 06 19:41:02 2020 -0500
+++ b/rdf.py	Wed May 20 13:03:58 2020 -0400
@@ -8,11 +8,12 @@
 from MDAnalysis.analysis.rdf import InterRDF
 
 import matplotlib
-matplotlib.use('Agg')  # noqa
 import matplotlib.pyplot as plt
 
 import numpy as np
 
+matplotlib.use('Agg')  # noqa
+
 
 def parse_command_line(argv):
     parser = argparse.ArgumentParser()