Mercurial > repos > chemteam > mdanalysis_rdf
changeset 6:0f17d0720565 draft
"planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7a25958195ccc8f448dd64ddcc36e8f5e5979d8b"
| author | chemteam |
|---|---|
| date | Wed, 20 May 2020 13:05:39 -0400 |
| parents | b63a8bdb4b90 |
| children | 1a220575ad7a |
| files | angle.py dihedrals.py distance_single.py ramachandran_plots.py rdf.py |
| diffstat | 5 files changed, 10 insertions(+), 5 deletions(-) [+] |
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--- 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()
--- 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()
--- 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()
--- 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()
--- 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()