# HG changeset patch # User chemteam # Date 1589994266 14400 # Node ID 7c5fd4117a07f1a94e8cfff2d6c3131d946057e0 # Parent 62ce73c9d737dc48457b3a4d7180a18121d4c9ce "planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7a25958195ccc8f448dd64ddcc36e8f5e5979d8b" diff -r 62ce73c9d737 -r 7c5fd4117a07 angle.py --- a/angle.py Thu Feb 06 19:41:27 2020 -0500 +++ b/angle.py Wed May 20 13:04:26 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 62ce73c9d737 -r 7c5fd4117a07 dihedrals.py --- a/dihedrals.py Thu Feb 06 19:41:27 2020 -0500 +++ b/dihedrals.py Wed May 20 13:04:26 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 62ce73c9d737 -r 7c5fd4117a07 distance_single.py --- a/distance_single.py Thu Feb 06 19:41:27 2020 -0500 +++ b/distance_single.py Wed May 20 13:04:26 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 62ce73c9d737 -r 7c5fd4117a07 ramachandran_plots.py --- a/ramachandran_plots.py Thu Feb 06 19:41:27 2020 -0500 +++ b/ramachandran_plots.py Wed May 20 13:04:26 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 62ce73c9d737 -r 7c5fd4117a07 rdf.py --- a/rdf.py Thu Feb 06 19:41:27 2020 -0500 +++ b/rdf.py Wed May 20 13:04:26 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()