# HG changeset patch # User chemteam # Date 1589993767 0 # Node ID fb2b8448123900527dea02df793df1293ad1e565 # Parent 62eaf6ecd9eb3a70d9fe74bd43849cf422668bcf "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7a25958195ccc8f448dd64ddcc36e8f5e5979d8b" diff -r 62eaf6ecd9eb -r fb2b84481239 angle.py --- a/angle.py Fri Feb 07 00:38:47 2020 +0000 +++ b/angle.py Wed May 20 16:56:07 2020 +0000 @@ -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() diff -r 62eaf6ecd9eb -r fb2b84481239 dihedrals.py --- a/dihedrals.py Fri Feb 07 00:38:47 2020 +0000 +++ b/dihedrals.py Wed May 20 16:56:07 2020 +0000 @@ -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() diff -r 62eaf6ecd9eb -r fb2b84481239 distance_single.py --- a/distance_single.py Fri Feb 07 00:38:47 2020 +0000 +++ b/distance_single.py Wed May 20 16:56:07 2020 +0000 @@ -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() diff -r 62eaf6ecd9eb -r fb2b84481239 ramachandran_plots.py --- a/ramachandran_plots.py Fri Feb 07 00:38:47 2020 +0000 +++ b/ramachandran_plots.py Wed May 20 16:56:07 2020 +0000 @@ -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() diff -r 62eaf6ecd9eb -r fb2b84481239 rdf.py --- a/rdf.py Fri Feb 07 00:38:47 2020 +0000 +++ b/rdf.py Wed May 20 16:56:07 2020 +0000 @@ -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()