MANIFEST.in
setup.py
MDTraj/__init__.py
MDTraj/io.py
MDTraj/version.py
MDTraj/core/__init__.py
MDTraj/core/element.py
MDTraj/core/residue_names.py
MDTraj/core/selection.py
MDTraj/core/topology.py
MDTraj/core/trajectory.py
MDTraj/formats/__init__.py
MDTraj/formats/amberrst.py
MDTraj/formats/arc.py
MDTraj/formats/gro.py
MDTraj/formats/hdf5.py
MDTraj/formats/lammpstrj.py
MDTraj/formats/lh5.py
MDTraj/formats/mdcrd.py
MDTraj/formats/mol2.py
MDTraj/formats/netcdf.py
MDTraj/formats/openmmxml.py
MDTraj/formats/prmtop.py
MDTraj/formats/psf.py
MDTraj/formats/registry.py
MDTraj/formats/binpos/binpos.c
MDTraj/formats/binpos/binpos.pyx
MDTraj/formats/binpos/binposlib.pxd
MDTraj/formats/binpos/include/binposplugin.h
MDTraj/formats/binpos/include/largefiles.h
MDTraj/formats/binpos/include/molfile_plugin.h
MDTraj/formats/binpos/include/vmdplugin.h
MDTraj/formats/binpos/src/binposplugin.c
MDTraj/formats/dcd/dcd.c
MDTraj/formats/dcd/dcd.pyx
MDTraj/formats/dcd/dcdlib.pxd
MDTraj/formats/dcd/include/dcdplugin.h
MDTraj/formats/dcd/include/endianswap.h
MDTraj/formats/dcd/include/fastio.h
MDTraj/formats/dcd/include/largefiles.h
MDTraj/formats/dcd/include/molfile_plugin.h
MDTraj/formats/dcd/include/vmdplugin.h
MDTraj/formats/dcd/src/dcdplugin.c
MDTraj/formats/dtr/dtr.cpp
MDTraj/formats/dtr/dtr.pyx
MDTraj/formats/dtr/dtrlib.pxd
MDTraj/formats/dtr/include/dtrplugin.hxx
MDTraj/formats/dtr/include/endianswap.h
MDTraj/formats/dtr/include/molfile_plugin.h
MDTraj/formats/dtr/include/vmddir.h
MDTraj/formats/dtr/include/vmdplugin.h
MDTraj/formats/dtr/src/dtrplugin.cxx
MDTraj/formats/pdb/README.md
MDTraj/formats/pdb/__init__.py
MDTraj/formats/pdb/pdbfile.py
MDTraj/formats/pdb/pdbstructure.py
MDTraj/formats/pdb/data/pdbNames.xml
MDTraj/formats/pdb/data/residues.xml
MDTraj/formats/pdb/tests/__init__.py
MDTraj/formats/pdb/tests/test_element.py
MDTraj/formats/pdb/tests/test_pdb.py
MDTraj/formats/xtc/trr.c
MDTraj/formats/xtc/trr.pyx
MDTraj/formats/xtc/trrlib.pxd
MDTraj/formats/xtc/xdrlib.pxd
MDTraj/formats/xtc/xtc.c
MDTraj/formats/xtc/xtc.pyx
MDTraj/formats/xtc/include/xdrfile.h
MDTraj/formats/xtc/include/xdrfile_trr.h
MDTraj/formats/xtc/include/xdrfile_xtc.h
MDTraj/formats/xtc/src/README
MDTraj/formats/xtc/src/xdrfile.c
MDTraj/formats/xtc/src/xdrfile_trr.c
MDTraj/formats/xtc/src/xdrfile_xtc.c
MDTraj/geometry/__init__.py
MDTraj/geometry/alignment.py
MDTraj/geometry/angle.py
MDTraj/geometry/contact.py
MDTraj/geometry/dihedral.py
MDTraj/geometry/distance.py
MDTraj/geometry/drid.c
MDTraj/geometry/drid.pyx
MDTraj/geometry/dssp.py
MDTraj/geometry/hbond.py
MDTraj/geometry/internal.py
MDTraj/geometry/neighbors.cpp
MDTraj/geometry/neighbors.pyx
MDTraj/geometry/rg.py
MDTraj/geometry/sasa.py
MDTraj/geometry/include/dridkernels.h
MDTraj/geometry/include/geometry.h
MDTraj/geometry/include/geometryutils.h
MDTraj/geometry/include/hardware.h
MDTraj/geometry/include/moments.h
MDTraj/geometry/include/msvccompat.h
MDTraj/geometry/include/neighbors.hpp
MDTraj/geometry/include/sasa.h
MDTraj/geometry/include/ssetools.h
MDTraj/geometry/include/cephes/cbrt.h
MDTraj/geometry/include/cephes/mconf.h
MDTraj/geometry/src/_geometry.cpp
MDTraj/geometry/src/_geometry.pyx
MDTraj/geometry/src/dridkernels.c
MDTraj/geometry/src/dssp.cpp
MDTraj/geometry/src/geometry.c
MDTraj/geometry/src/moments.c
MDTraj/geometry/src/neighbors.cpp
MDTraj/geometry/src/sasa.c
MDTraj/geometry/src/cephes/cbrt.c
MDTraj/geometry/src/cephes/isnan.c
MDTraj/geometry/src/kernels/anglekernels.h
MDTraj/geometry/src/kernels/dihedralkernels.h
MDTraj/geometry/src/kernels/distancekernels.h
MDTraj/geometry/tests/__init__.py
MDTraj/geometry/tests/test_alignment.py
MDTraj/geometry/tests/test_angles.py
MDTraj/geometry/tests/test_contact.py
MDTraj/geometry/tests/test_dihedral.py
MDTraj/geometry/tests/test_distance.py
MDTraj/geometry/tests/test_drid.py
MDTraj/geometry/tests/test_dssp.py
MDTraj/geometry/tests/test_geometry.py
MDTraj/geometry/tests/test_hbonds.py
MDTraj/geometry/tests/test_neighbors.py
MDTraj/geometry/tests/test_sasa.py
MDTraj/html/__init__.py
MDTraj/html/imagebutton_widget.py
MDTraj/html/install.py
MDTraj/html/linked_heatmap.py
MDTraj/html/trajectory_widget.py
MDTraj/html/static/context.js
MDTraj/html/static/filesaver.js
MDTraj/html/static/iview.js
MDTraj/html/static/objexporter.js
MDTraj/html/static/surface.min.js
MDTraj/html/static/widget_imagebutton.js
MDTraj/html/static/widget_trajectory.js
MDTraj/nmr/__init__.py
MDTraj/nmr/scalar_couplings.py
MDTraj/nmr/shift_wrappers.py
MDTraj/reporters/__init__.py
MDTraj/reporters/basereporter.py
MDTraj/reporters/dcdreporter.py
MDTraj/reporters/hdf5reporter.py
MDTraj/reporters/netcdfreporter.py
MDTraj/rmsd/README.md
MDTraj/rmsd/_lprmsd.cpp
MDTraj/rmsd/_lprmsd.pyx
MDTraj/rmsd/_rmsd.c
MDTraj/rmsd/_rmsd.pyx
MDTraj/rmsd/include/Munkres.h
MDTraj/rmsd/include/euclidean_permutation.hpp
MDTraj/rmsd/include/fancy_index.hpp
MDTraj/rmsd/include/msvccompat.h
MDTraj/rmsd/include/rotation.h
MDTraj/rmsd/include/sse_swizzle.h
MDTraj/rmsd/include/theobald_rmsd.h
MDTraj/rmsd/include/util.h
MDTraj/rmsd/src/Munkres.cpp
MDTraj/rmsd/src/center.c
MDTraj/rmsd/src/euclidean_permutation.cpp
MDTraj/rmsd/src/fancy_index.cpp
MDTraj/rmsd/src/rotation.c
MDTraj/rmsd/src/theobald_rmsd.c
MDTraj/testing/__init__.py
MDTraj/testing/docscrape.py
MDTraj/testing/docstrings.py
MDTraj/testing/nosetester.py
MDTraj/testing/testing.py
MDTraj/testing/reference/1am7_corrected.xtc
MDTraj/testing/reference/1am7_protein.pdb
MDTraj/testing/reference/1am7_uncorrected.xtc
MDTraj/testing/reference/1bpi.pdb
MDTraj/testing/reference/1ncw.pdb.gz
MDTraj/testing/reference/1vii.pdb
MDTraj/testing/reference/1vii.pdb.gz
MDTraj/testing/reference/1vii_sustiva_water.pdb
MDTraj/testing/reference/2EQQ.pdb
MDTraj/testing/reference/3nch.pdb.gz
MDTraj/testing/reference/4K6Q.pdb
MDTraj/testing/reference/4waters.arc
MDTraj/testing/reference/4waters.pdb
MDTraj/testing/reference/GG-tip4pew.pdb
MDTraj/testing/reference/README.md
MDTraj/testing/reference/Rg_traj_ref.dat
MDTraj/testing/reference/ala_ala_ala.mdcrd
MDTraj/testing/reference/ala_ala_ala.pdb
MDTraj/testing/reference/ala_ala_ala.psf
MDTraj/testing/reference/ala_ala_ala.xpsf
MDTraj/testing/reference/ala_dipeptide.dcd
MDTraj/testing/reference/ala_dipeptide.pdb
MDTraj/testing/reference/alanine-dipeptide-explicit.binpos
MDTraj/testing/reference/alanine-dipeptide-explicit.pdb
MDTraj/testing/reference/alanine-dipeptide-explicit.prmtop
MDTraj/testing/reference/alanine-dipeptide-implicit.prmtop
MDTraj/testing/reference/alanine.binpos
MDTraj/testing/reference/atom_distances_traj_ref.dat
MDTraj/testing/reference/atom_pairs.dat
MDTraj/testing/reference/bpti.pdb
MDTraj/testing/reference/cc_ca.dat
MDTraj/testing/reference/cc_closest-heavy.dat
MDTraj/testing/reference/cc_closest.dat
MDTraj/testing/reference/contacts.dat
MDTraj/testing/reference/frame0.binpos
MDTraj/testing/reference/frame0.binpos.h5
MDTraj/testing/reference/frame0.dcd
MDTraj/testing/reference/frame0.dcd.h5
MDTraj/testing/reference/frame0.h5
MDTraj/testing/reference/frame0.lammpstrj
MDTraj/testing/reference/frame0.mdcrd
MDTraj/testing/reference/frame0.mdcrdbox
MDTraj/testing/reference/frame0.nc
MDTraj/testing/reference/frame0.pdb
MDTraj/testing/reference/frame0.trr
MDTraj/testing/reference/frame0.xtc
MDTraj/testing/reference/frame0.xtc.h5
MDTraj/testing/reference/freesolve_v0.3.tar.bz2
MDTraj/testing/reference/g_sas_ref.dat
MDTraj/testing/reference/imatinib.mol2
MDTraj/testing/reference/imatinib.pdb
MDTraj/testing/reference/inpcrd
MDTraj/testing/reference/legacy_msmbuilder_trj0.lh5
MDTraj/testing/reference/lysozyme-ligand-tripos.mol2
MDTraj/testing/reference/mdcrd.nc
MDTraj/testing/reference/multiframe.pdb
MDTraj/testing/reference/native.pdb
MDTraj/testing/reference/native2.pdb
MDTraj/testing/reference/native2.xml
MDTraj/testing/reference/ncinpcrd.rst7
MDTraj/testing/reference/nitrogen.arc
MDTraj/testing/reference/nitrogen.pdb
MDTraj/testing/reference/nonconsecutive_resSeq.pdb
MDTraj/testing/reference/overflow.crd
MDTraj/testing/reference/traj.h5
MDTraj/testing/reference/tz2.truncoct.parm7
MDTraj/testing/reference/ala_dipeptide_trj/clickme.dtr
MDTraj/testing/reference/ala_dipeptide_trj/frame000000000
MDTraj/testing/reference/ala_dipeptide_trj/frame000000001
MDTraj/testing/reference/ala_dipeptide_trj/frame000000002
MDTraj/testing/reference/ala_dipeptide_trj/metadata
MDTraj/testing/reference/ala_dipeptide_trj/timekeys
MDTraj/testing/reference/ala_dipeptide_trj/not_hashed/.ddparams
MDTraj/testing/reference/frame0.dtr/clickme.dtr
MDTraj/testing/reference/frame0.dtr/frame000000000
MDTraj/testing/reference/frame0.dtr/frame000000001
MDTraj/testing/reference/frame0.dtr/metadata
MDTraj/testing/reference/frame0.dtr/timekeys
MDTraj/testing/reference/frame0.dtr/not_hashed/.ddparams
MDTraj/tests/__init__.py
MDTraj/tests/test_arc.py
MDTraj/tests/test_binpos.py
MDTraj/tests/test_crd.py
MDTraj/tests/test_dcd.py
MDTraj/tests/test_dtr.py
MDTraj/tests/test_element.py
MDTraj/tests/test_gro.py
MDTraj/tests/test_hdf5.py
MDTraj/tests/test_io.py
MDTraj/tests/test_lammpstrj.py
MDTraj/tests/test_lh5.py
MDTraj/tests/test_lprmsd.py
MDTraj/tests/test_mdconvert.py
MDTraj/tests/test_mdcrd.py
MDTraj/tests/test_mol2.py
MDTraj/tests/test_netcdf.py
MDTraj/tests/test_nmr.py
MDTraj/tests/test_prmtop.py
MDTraj/tests/test_psf.py
MDTraj/tests/test_quaternion.py
MDTraj/tests/test_reporter.py
MDTraj/tests/test_restart.py
MDTraj/tests/test_rmsd.py
MDTraj/tests/test_rmsd_memmap.py
MDTraj/tests/test_selection.py
MDTraj/tests/test_topology.py
MDTraj/tests/test_trajectory.py
MDTraj/tests/test_trr.py
MDTraj/tests/test_xml.py
MDTraj/tests/test_xtc.py
MDTraj/utils/__init__.py
MDTraj/utils/contextmanagers.py
MDTraj/utils/delay_import.py
MDTraj/utils/ffi.py
MDTraj/utils/rotation.py
MDTraj/utils/six.py
MDTraj/utils/test.py
MDTraj/utils/unitcell.py
MDTraj/utils/validation.py
MDTraj/utils/external/FETCH_EXTERNAL_PACKAGES.sh
MDTraj/utils/external/README.md
MDTraj/utils/external/__init__.py
MDTraj/utils/external/pyparsing.py
MDTraj/utils/external/astor/LICENSE
MDTraj/utils/external/astor/__init__.py
MDTraj/utils/external/astor/codegen.py
MDTraj/utils/external/astor/misc.py
MDTraj/utils/external/astor/treewalk.py
MDTraj/utils/unit/__init__.py
MDTraj/utils/unit/basedimension.py
MDTraj/utils/unit/baseunit.py
MDTraj/utils/unit/constants.py
MDTraj/utils/unit/doctests.py
MDTraj/utils/unit/mymatrix.py
MDTraj/utils/unit/prefix.py
MDTraj/utils/unit/quantity.py
MDTraj/utils/unit/standard_dimensions.py
MDTraj/utils/unit/unit.py
MDTraj/utils/unit/unit_definitions.py
MDTraj/utils/unit/unit_math.py
MDTraj/utils/unit/unit_operators.py
examples/1vii_3frames.pdb
examples/WebGL-Viewer.ipynb
examples/ala2.h5
examples/atom-selection.ipynb
examples/centroids.ipynb
examples/clustering.ipynb
examples/hbonds.ipynb
examples/iterload.ipynb
examples/native-contact.ipynb
examples/nmr.ipynb
examples/principle-components.ipynb
examples/ramachandran-plot.ipynb
examples/rmsd-benchmark.ipynb
examples/rmsd-drift.ipynb
examples/simulation-with-openmm.ipynb
examples/solvent-accessible-surface-area.ipynb
examples/two-pass-clustering.ipynb
mdtraj.egg-info/PKG-INFO
mdtraj.egg-info/SOURCES.txt
mdtraj.egg-info/dependency_links.txt
mdtraj.egg-info/entry_points.txt
mdtraj.egg-info/not-zip-safe
mdtraj.egg-info/top_level.txt
scripts/__init__.py
scripts/mdconvert.py
scripts/mdinspect.py