joaomcteixeira/taurenmd

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NameLines of codeMaintainabilityTest coverage
docs/reference/cli_rotations.rst
docs/reference/cli_template.xxx
docs/reference/cli_trajedit.rst
docs/reference/clients.rst
docs/reference/core.rst
docs/reference/index.rst
docs/reference/libcalc.rst
docs/reference/libcli.rst
docs/reference/libio.rst
docs/reference/libmda.rst
docs/reference/libmdt.rst
docs/reference/libs.xrst
docs/reference/plots.rst
docs/reference/taurenmd.xrst
docs/requirements.txt
docs/spelling_wordlist.txt
docs/usage.rst
docs/versioning.rst
joss/paper.bib
joss/paper.md
requirements-dev.yml
requirements.yml
setup.py109
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src/taurenmd/__init__.py61
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src/taurenmd/__main__.py10
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src/taurenmd/_cli_template.py72
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src/taurenmd/cli.py107
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src/taurenmd/cli_distances.py152
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src/taurenmd/cli_fext.py114
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src/taurenmd/cli_imagemol.py86
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src/taurenmd/cli_nosol.py75
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src/taurenmd/cli_pangle.py150
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src/taurenmd/cli_report.py37
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src/taurenmd/cli_rmsd.py126
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src/taurenmd/cli_rmsf.py142
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src/taurenmd/cli_rotations.py220
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src/taurenmd/cli_trajedit.py184
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1 hr
src/taurenmd/core.py66
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src/taurenmd/libs/__init__.py17
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src/taurenmd/libs/libcalc.py286
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50 mins
src/taurenmd/libs/libcli.py614
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2 hrs
src/taurenmd/libs/libio.py393
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6 hrs
src/taurenmd/libs/libmda.py278
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src/taurenmd/libs/libmdt.py84
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src/taurenmd/libs/libopenmm.py50
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src/taurenmd/libs/libutil.py59
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src/taurenmd/logger.py26
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src/taurenmd/plots/__init__.py1
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src/taurenmd/plots/labeldots.py76
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3 hrs
src/taurenmd/plots/plotparams.py148
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7 hrs