# HG changeset patch # User chemteam # Date 1589994238 14400 # Node ID 9a3a1f698fc6ca6daa114dda9ffc92e0a5882239 # Parent e39bc1f90d8f4c11a79c55d6278ec8abfe0cba44 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7a25958195ccc8f448dd64ddcc36e8f5e5979d8b" diff -r e39bc1f90d8f -r 9a3a1f698fc6 angle.py --- 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() diff -r e39bc1f90d8f -r 9a3a1f698fc6 dihedrals.py --- 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() diff -r e39bc1f90d8f -r 9a3a1f698fc6 distance_single.py --- 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() diff -r e39bc1f90d8f -r 9a3a1f698fc6 ramachandran_plots.py --- 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() diff -r e39bc1f90d8f -r 9a3a1f698fc6 rdf.py --- 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()