AUTHORS
CHANGELOG
INSTALL
LICENSE
MANIFEST.in
README
pyproject.toml
setup.cfg
setup.py
MDAnalysis/__init__.py
MDAnalysis/authors.py
MDAnalysis/due.py
MDAnalysis/exceptions.py
MDAnalysis/units.py
MDAnalysis/version.py
MDAnalysis.egg-info/PKG-INFO
MDAnalysis.egg-info/SOURCES.txt
MDAnalysis.egg-info/dependency_links.txt
MDAnalysis.egg-info/not-zip-safe
MDAnalysis.egg-info/requires.txt
MDAnalysis.egg-info/top_level.txt
MDAnalysis/analysis/__init__.py
MDAnalysis/analysis/align.py
MDAnalysis/analysis/atomicdistances.py
MDAnalysis/analysis/backends.py
MDAnalysis/analysis/base.py
MDAnalysis/analysis/bat.py
MDAnalysis/analysis/contacts.py
MDAnalysis/analysis/density.py
MDAnalysis/analysis/dielectric.py
MDAnalysis/analysis/diffusionmap.py
MDAnalysis/analysis/dihedrals.py
MDAnalysis/analysis/distances.py
MDAnalysis/analysis/gnm.py
MDAnalysis/analysis/helix_analysis.py
MDAnalysis/analysis/leaflet.py
MDAnalysis/analysis/lineardensity.py
MDAnalysis/analysis/msd.py
MDAnalysis/analysis/nucleicacids.py
MDAnalysis/analysis/nuclinfo.py
MDAnalysis/analysis/pca.py
MDAnalysis/analysis/polymer.py
MDAnalysis/analysis/psa.py
MDAnalysis/analysis/rdf.py
MDAnalysis/analysis/results.py
MDAnalysis/analysis/rms.py
MDAnalysis/analysis/waterdynamics.py
MDAnalysis/analysis/data/__init__.py
MDAnalysis/analysis/data/filenames.py
MDAnalysis/analysis/data/janin_ref_data.npy
MDAnalysis/analysis/data/rama_ref_data.npy
MDAnalysis/analysis/dssp/__init__.py
MDAnalysis/analysis/dssp/dssp.py
MDAnalysis/analysis/dssp/pydssp_numpy.py
MDAnalysis/analysis/encore/__init__.py
MDAnalysis/analysis/encore/bootstrap.py
MDAnalysis/analysis/encore/confdistmatrix.py
MDAnalysis/analysis/encore/covariance.py
MDAnalysis/analysis/encore/cutils.c
MDAnalysis/analysis/encore/cutils.pyx
MDAnalysis/analysis/encore/similarity.py
MDAnalysis/analysis/encore/utils.py
MDAnalysis/analysis/encore/clustering/ClusterCollection.py
MDAnalysis/analysis/encore/clustering/ClusteringMethod.py
MDAnalysis/analysis/encore/clustering/__init__.py
MDAnalysis/analysis/encore/clustering/affinityprop.c
MDAnalysis/analysis/encore/clustering/affinityprop.pyx
MDAnalysis/analysis/encore/clustering/cluster.py
MDAnalysis/analysis/encore/clustering/include/ap.h
MDAnalysis/analysis/encore/clustering/src/ap.c
MDAnalysis/analysis/encore/dimensionality_reduction/DimensionalityReductionMethod.py
MDAnalysis/analysis/encore/dimensionality_reduction/__init__.py
MDAnalysis/analysis/encore/dimensionality_reduction/reduce_dimensionality.py
MDAnalysis/analysis/encore/dimensionality_reduction/stochasticproxembed.c
MDAnalysis/analysis/encore/dimensionality_reduction/stochasticproxembed.pyx
MDAnalysis/analysis/encore/dimensionality_reduction/include/spe.h
MDAnalysis/analysis/encore/dimensionality_reduction/src/spe.c
MDAnalysis/analysis/hbonds/__init__.py
MDAnalysis/analysis/hbonds/hbond_autocorrel.py
MDAnalysis/analysis/hole2/__init__.py
MDAnalysis/analysis/hydrogenbonds/__init__.py
MDAnalysis/analysis/hydrogenbonds/hbond_analysis.py
MDAnalysis/analysis/hydrogenbonds/hbond_autocorrel.py
MDAnalysis/analysis/hydrogenbonds/wbridge_analysis.py
MDAnalysis/analysis/legacy/__init__.py
MDAnalysis/analysis/legacy/x3dna.py
MDAnalysis/auxiliary/EDR.py
MDAnalysis/auxiliary/XVG.py
MDAnalysis/auxiliary/__init__.py
MDAnalysis/auxiliary/base.py
MDAnalysis/auxiliary/core.py
MDAnalysis/converters/OpenMM.py
MDAnalysis/converters/OpenMMParser.py
MDAnalysis/converters/ParmEd.py
MDAnalysis/converters/ParmEdParser.py
MDAnalysis/converters/RDKit.py
MDAnalysis/converters/RDKitInferring.py
MDAnalysis/converters/RDKitParser.py
MDAnalysis/converters/__init__.py
MDAnalysis/converters/base.py
MDAnalysis/coordinates/CRD.py
MDAnalysis/coordinates/DCD.py
MDAnalysis/coordinates/DLPoly.py
MDAnalysis/coordinates/DMS.py
MDAnalysis/coordinates/FHIAIMS.py
MDAnalysis/coordinates/GMS.py
MDAnalysis/coordinates/GRO.py
MDAnalysis/coordinates/GSD.py
MDAnalysis/coordinates/H5MD.py
MDAnalysis/coordinates/IMD.py
MDAnalysis/coordinates/INPCRD.py
MDAnalysis/coordinates/LAMMPS.py
MDAnalysis/coordinates/MMTF.py
MDAnalysis/coordinates/MOL2.py
MDAnalysis/coordinates/NAMDBIN.py
MDAnalysis/coordinates/PDB.py
MDAnalysis/coordinates/PDBQT.py
MDAnalysis/coordinates/PQR.py
MDAnalysis/coordinates/ParmEd.py
MDAnalysis/coordinates/TNG.py
MDAnalysis/coordinates/TPR.py
MDAnalysis/coordinates/TRC.py
MDAnalysis/coordinates/TRJ.py
MDAnalysis/coordinates/TRR.py
MDAnalysis/coordinates/TRZ.py
MDAnalysis/coordinates/TXYZ.py
MDAnalysis/coordinates/XDR.py
MDAnalysis/coordinates/XTC.py
MDAnalysis/coordinates/XYZ.py
MDAnalysis/coordinates/__init__.py
MDAnalysis/coordinates/base.py
MDAnalysis/coordinates/chain.py
MDAnalysis/coordinates/chemfiles.py
MDAnalysis/coordinates/core.py
MDAnalysis/coordinates/memory.py
MDAnalysis/coordinates/null.py
MDAnalysis/coordinates/timestep.cpp
MDAnalysis/coordinates/timestep.pxd
MDAnalysis/coordinates/timestep.pyx
MDAnalysis/core/__init__.py
MDAnalysis/core/_get_readers.py
MDAnalysis/core/accessors.py
MDAnalysis/core/groups.py
MDAnalysis/core/selection.py
MDAnalysis/core/topology.py
MDAnalysis/core/topologyattrs.py
MDAnalysis/core/topologyobjects.py
MDAnalysis/core/universe.py
MDAnalysis/guesser/__init__.py
MDAnalysis/guesser/base.py
MDAnalysis/guesser/default_guesser.py
MDAnalysis/guesser/tables.py
MDAnalysis/lib/NeighborSearch.py
MDAnalysis/lib/__init__.py
MDAnalysis/lib/_augment.cpp
MDAnalysis/lib/_augment.pyx
MDAnalysis/lib/_cutil.cpp
MDAnalysis/lib/_cutil.pxd
MDAnalysis/lib/_cutil.pyx
MDAnalysis/lib/_distopia.py
MDAnalysis/lib/c_distances.c
MDAnalysis/lib/c_distances.pxd
MDAnalysis/lib/c_distances.pyx
MDAnalysis/lib/c_distances_openmp.c
MDAnalysis/lib/c_distances_openmp.pyx
MDAnalysis/lib/correlations.py
MDAnalysis/lib/distances.py
MDAnalysis/lib/log.py
MDAnalysis/lib/mdamath.py
MDAnalysis/lib/nsgrid.cpp
MDAnalysis/lib/nsgrid.pyx
MDAnalysis/lib/picklable_file_io.py
MDAnalysis/lib/pkdtree.py
MDAnalysis/lib/qcprot.c
MDAnalysis/lib/qcprot.pyx
MDAnalysis/lib/transformations.py
MDAnalysis/lib/util.py
MDAnalysis/lib/formats/__init__.py
MDAnalysis/lib/formats/cython_util.c
MDAnalysis/lib/formats/cython_util.pxd
MDAnalysis/lib/formats/cython_util.pyx
MDAnalysis/lib/formats/libdcd.c
MDAnalysis/lib/formats/libdcd.pxd
MDAnalysis/lib/formats/libdcd.pyx
MDAnalysis/lib/formats/libmdaxdr.c
MDAnalysis/lib/formats/libmdaxdr.pxd
MDAnalysis/lib/formats/libmdaxdr.pyx
MDAnalysis/lib/formats/include/__init__.py
MDAnalysis/lib/formats/include/endianswap.h
MDAnalysis/lib/formats/include/fastio.h
MDAnalysis/lib/formats/include/readdcd.h
MDAnalysis/lib/formats/include/trr_seek.h
MDAnalysis/lib/formats/include/xdrfile.h
MDAnalysis/lib/formats/include/xdrfile_trr.h
MDAnalysis/lib/formats/include/xdrfile_xtc.h
MDAnalysis/lib/formats/include/xtc_seek.h
MDAnalysis/lib/formats/src/__init__.py
MDAnalysis/lib/formats/src/trr_seek.c
MDAnalysis/lib/formats/src/xdrfile.c
MDAnalysis/lib/formats/src/xdrfile_trr.c
MDAnalysis/lib/formats/src/xdrfile_xtc.c
MDAnalysis/lib/formats/src/xtc_seek.c
MDAnalysis/lib/include/__init__.py
MDAnalysis/lib/include/calc_distances.h
MDAnalysis/lib/libmdanalysis/__init__.pxd
MDAnalysis/lib/libmdanalysis/__init__.py
MDAnalysis/lib/src/transformations/AUTHOR
MDAnalysis/lib/src/transformations/LICENCE
MDAnalysis/lib/src/transformations/__init__.py
MDAnalysis/lib/src/transformations/transformations.c
MDAnalysis/selections/__init__.py
MDAnalysis/selections/base.py
MDAnalysis/selections/charmm.py
MDAnalysis/selections/gromacs.py
MDAnalysis/selections/jmol.py
MDAnalysis/selections/pymol.py
MDAnalysis/selections/vmd.py
MDAnalysis/tests/__init__.py
MDAnalysis/tests/datafiles.py
MDAnalysis/topology/CRDParser.py
MDAnalysis/topology/DLPolyParser.py
MDAnalysis/topology/DMSParser.py
MDAnalysis/topology/ExtendedPDBParser.py
MDAnalysis/topology/FHIAIMSParser.py
MDAnalysis/topology/GMSParser.py
MDAnalysis/topology/GROParser.py
MDAnalysis/topology/GSDParser.py
MDAnalysis/topology/HoomdXMLParser.py
MDAnalysis/topology/ITPParser.py
MDAnalysis/topology/LAMMPSParser.py
MDAnalysis/topology/MMTFParser.py
MDAnalysis/topology/MOL2Parser.py
MDAnalysis/topology/MinimalParser.py
MDAnalysis/topology/PDBParser.py
MDAnalysis/topology/PDBQTParser.py
MDAnalysis/topology/PQRParser.py
MDAnalysis/topology/PSFParser.py
MDAnalysis/topology/ParmEdParser.py
MDAnalysis/topology/TOPParser.py
MDAnalysis/topology/TPRParser.py
MDAnalysis/topology/TXYZParser.py
MDAnalysis/topology/XYZParser.py
MDAnalysis/topology/__init__.py
MDAnalysis/topology/base.py
MDAnalysis/topology/core.py
MDAnalysis/topology/guessers.py
MDAnalysis/topology/tables.py
MDAnalysis/topology/tpr/__init__.py
MDAnalysis/topology/tpr/obj.py
MDAnalysis/topology/tpr/setting.py
MDAnalysis/topology/tpr/utils.py
MDAnalysis/transformations/__init__.py
MDAnalysis/transformations/base.py
MDAnalysis/transformations/boxdimensions.py
MDAnalysis/transformations/fit.py
MDAnalysis/transformations/nojump.py
MDAnalysis/transformations/positionaveraging.py
MDAnalysis/transformations/rotate.py
MDAnalysis/transformations/translate.py
MDAnalysis/transformations/wrap.py
MDAnalysis/visualization/__init__.py
MDAnalysis/visualization/streamlines.py
MDAnalysis/visualization/streamlines_3D.py
doc/README
doc/sphinx/Makefile
doc/sphinx/source/conf.py
doc/sphinx/source/index.rst
doc/sphinx/source/references.bib
doc/sphinx/source/documentation_pages/analysis_modules.rst
doc/sphinx/source/documentation_pages/auxiliary_modules.rst
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