# HG changeset patch # User chemteam # Date 1589993740 0 # Node ID fb99a68cf6a3b804d9ca7c0fd92da00f057a3f66 # Parent 6c44bb4978fafb159691d95ababe96393b45b186 "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7a25958195ccc8f448dd64ddcc36e8f5e5979d8b" diff -r 6c44bb4978fa -r fb99a68cf6a3 angle.py --- a/angle.py Fri Feb 07 00:38:21 2020 +0000 +++ b/angle.py Wed May 20 16:55:40 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 6c44bb4978fa -r fb99a68cf6a3 dihedrals.py --- a/dihedrals.py Fri Feb 07 00:38:21 2020 +0000 +++ b/dihedrals.py Wed May 20 16:55:40 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 6c44bb4978fa -r fb99a68cf6a3 distance_single.py --- a/distance_single.py Fri Feb 07 00:38:21 2020 +0000 +++ b/distance_single.py Wed May 20 16:55:40 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 6c44bb4978fa -r fb99a68cf6a3 ramachandran_plots.py --- a/ramachandran_plots.py Fri Feb 07 00:38:21 2020 +0000 +++ b/ramachandran_plots.py Wed May 20 16:55:40 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 6c44bb4978fa -r fb99a68cf6a3 rdf.py --- a/rdf.py Fri Feb 07 00:38:21 2020 +0000 +++ b/rdf.py Wed May 20 16:55:40 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()