# HG changeset patch # User chemteam # Date 1589994339 14400 # Node ID 0f17d072056592c5df190e4db835222388f659d7 # Parent b63a8bdb4b90bf02d54f2dae3fb188d514dea2e1 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7a25958195ccc8f448dd64ddcc36e8f5e5979d8b" diff -r b63a8bdb4b90 -r 0f17d0720565 angle.py --- a/angle.py Thu Feb 06 19:42:13 2020 -0500 +++ b/angle.py Wed May 20 13:05:39 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() diff -r b63a8bdb4b90 -r 0f17d0720565 dihedrals.py --- a/dihedrals.py Thu Feb 06 19:42:13 2020 -0500 +++ b/dihedrals.py Wed May 20 13:05:39 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() diff -r b63a8bdb4b90 -r 0f17d0720565 distance_single.py --- a/distance_single.py Thu Feb 06 19:42:13 2020 -0500 +++ b/distance_single.py Wed May 20 13:05:39 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() diff -r b63a8bdb4b90 -r 0f17d0720565 ramachandran_plots.py --- a/ramachandran_plots.py Thu Feb 06 19:42:13 2020 -0500 +++ b/ramachandran_plots.py Wed May 20 13:05:39 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() diff -r b63a8bdb4b90 -r 0f17d0720565 rdf.py --- a/rdf.py Thu Feb 06 19:42:13 2020 -0500 +++ b/rdf.py Wed May 20 13:05:39 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()