| Previous changeset 2:d23ef0663267 (2020-02-06) Next changeset 4:4c36f5ad2799 (2020-08-24) |
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Commit message:
"planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7a25958195ccc8f448dd64ddcc36e8f5e5979d8b" |
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modified:
angle.py dihedrals.py distance_single.py ramachandran_plots.py rdf.py |
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| diff -r d23ef0663267 -r 5efd0c95f97e angle.py --- a/angle.py Thu Feb 06 19:41:49 2020 -0500 +++ b/angle.py Wed May 20 13:05:00 2020 -0400 |
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| @@ -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() |
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| diff -r d23ef0663267 -r 5efd0c95f97e dihedrals.py --- a/dihedrals.py Thu Feb 06 19:41:49 2020 -0500 +++ b/dihedrals.py Wed May 20 13:05:00 2020 -0400 |
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| @@ -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() |
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| diff -r d23ef0663267 -r 5efd0c95f97e distance_single.py --- a/distance_single.py Thu Feb 06 19:41:49 2020 -0500 +++ b/distance_single.py Wed May 20 13:05:00 2020 -0400 |
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| @@ -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() |
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| diff -r d23ef0663267 -r 5efd0c95f97e ramachandran_plots.py --- a/ramachandran_plots.py Thu Feb 06 19:41:49 2020 -0500 +++ b/ramachandran_plots.py Wed May 20 13:05:00 2020 -0400 |
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| @@ -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() |
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| diff -r d23ef0663267 -r 5efd0c95f97e rdf.py --- a/rdf.py Thu Feb 06 19:41:49 2020 -0500 +++ b/rdf.py Wed May 20 13:05:00 2020 -0400 |
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| @@ -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() |