COPYING
MANIFEST.in
Makefile
gpl.txt
lgpl.txt
requirements.txt
setup.py
chemlab/__init__.py
chemlab/ipython.py
chemlab/table.py
chemlab.egg-info/PKG-INFO
chemlab.egg-info/SOURCES.txt
chemlab.egg-info/dependency_links.txt
chemlab.egg-info/not-zip-safe
chemlab.egg-info/requires.txt
chemlab.egg-info/top_level.txt
chemlab/contrib/__init__.py
chemlab/contrib/gromacs.py
chemlab/core/__init__.py
chemlab/core/atom.py
chemlab/core/attributes.py
chemlab/core/base.py
chemlab/core/fields.py
chemlab/core/molecule.py
chemlab/core/random.py
chemlab/core/serialization.py
chemlab/core/system.py
chemlab/core/trajectory.py
chemlab/core/spacegroup/__init__.py
chemlab/core/spacegroup/__init__.pyc
chemlab/core/spacegroup/cell.py
chemlab/core/spacegroup/cell.pyc
chemlab/core/spacegroup/crystal.py
chemlab/core/spacegroup/crystal.pyc
chemlab/core/spacegroup/spacegroup.dat
chemlab/core/spacegroup/spacegroup.py
chemlab/core/spacegroup/spacegroup.pyc
chemlab/db/__init__.py
chemlab/db/base.py
chemlab/db/chemlabdb.py
chemlab/db/chemspiderdb.py
chemlab/db/cirdb.py
chemlab/db/lj.py
chemlab/db/local.py
chemlab/db/rcsbdb.py
chemlab/db/toxnetdb.py
chemlab/db/units.py
chemlab/db/utils.py
chemlab/db/localdb/__init__.py
chemlab/db/localdb/data/__init__.py
chemlab/db/localdb/data/covalent_radii.dat
chemlab/db/localdb/data/element.txt
chemlab/db/localdb/molecule/__init__.py
chemlab/db/localdb/molecule/example.norbornene.json
chemlab/db/localdb/molecule/example.water.json
chemlab/db/localdb/molecule/gromacs.br-.json
chemlab/db/localdb/molecule/gromacs.cl-.json
chemlab/db/localdb/molecule/gromacs.li+.json
chemlab/db/localdb/molecule/gromacs.na+.json
chemlab/db/localdb/molecule/gromacs.spc.json
chemlab/db/localdb/molecule/gromacs.spce.json
chemlab/db/localdb/molecule/gromacs.urea.json
chemlab/graphics/__init__.py
chemlab/graphics/buffers.py
chemlab/graphics/camera.py
chemlab/graphics/colors.py
chemlab/graphics/octree.py
chemlab/graphics/pickers.py
chemlab/graphics/processviewer.py
chemlab/graphics/qchemlabwidget.py
chemlab/graphics/qttrajectory.py
chemlab/graphics/qtviewer.py
chemlab/graphics/shaders.py
chemlab/graphics/shapes.py
chemlab/graphics/textures.py
chemlab/graphics/transformations.py
chemlab/graphics/uis.py
chemlab/graphics/postprocessing/__init__.py
chemlab/graphics/postprocessing/base.py
chemlab/graphics/postprocessing/fxaa.py
chemlab/graphics/postprocessing/gamma.py
chemlab/graphics/postprocessing/glow.py
chemlab/graphics/postprocessing/noeffect.py
chemlab/graphics/postprocessing/outline.py
chemlab/graphics/postprocessing/ssao.py
chemlab/graphics/postprocessing/shaders/__init__.py
chemlab/graphics/postprocessing/shaders/fxaa.frag
chemlab/graphics/postprocessing/shaders/gamma.frag
chemlab/graphics/postprocessing/shaders/glow1.frag
chemlab/graphics/postprocessing/shaders/glow2.frag
chemlab/graphics/postprocessing/shaders/glow3.frag
chemlab/graphics/postprocessing/shaders/noeffect.frag
chemlab/graphics/postprocessing/shaders/noeffect.vert
chemlab/graphics/postprocessing/shaders/outline.frag
chemlab/graphics/postprocessing/shaders/ssao.frag
chemlab/graphics/postprocessing/shaders/ssao_blur.frag
chemlab/graphics/postprocessing/shaders/text.frag
chemlab/graphics/postprocessing/shaders/text.vert
chemlab/graphics/renderers/__init__.py
chemlab/graphics/renderers/arrow.py
chemlab/graphics/renderers/atom.py
chemlab/graphics/renderers/ballandstick.py
chemlab/graphics/renderers/base.py
chemlab/graphics/renderers/bond.py
chemlab/graphics/renderers/box.py
chemlab/graphics/renderers/cylinder.py
chemlab/graphics/renderers/cylinder_imp.py
chemlab/graphics/renderers/line.py
chemlab/graphics/renderers/point.py
chemlab/graphics/renderers/sphere.py
chemlab/graphics/renderers/sphere_imp.py
chemlab/graphics/renderers/triangles.py
chemlab/graphics/renderers/utils.pyx
chemlab/graphics/renderers/wireframe.py
chemlab/graphics/renderers/shaders/__init__.py
chemlab/graphics/renderers/shaders/cylinderimp.frag
chemlab/graphics/renderers/shaders/cylinderimp.vert
chemlab/graphics/renderers/shaders/default_light.frag
chemlab/graphics/renderers/shaders/default_persp.vert
chemlab/graphics/renderers/shaders/no_light.frag
chemlab/graphics/renderers/shaders/sphereimp.frag
chemlab/graphics/renderers/shaders/sphereimp.vert
chemlab/graphics/renderers/shaders/sphereimp_writenormal.frag
chemlab/io/__init__.py
chemlab/io/datafile.py
chemlab/io/textutils.py
chemlab/io/trajectory.py
chemlab/io/handlers/__init__.py
chemlab/io/handlers/_cclib.py
chemlab/io/handlers/base.py
chemlab/io/handlers/cif.py
chemlab/io/handlers/cml.py
chemlab/io/handlers/edr.py
chemlab/io/handlers/gamess.py
chemlab/io/handlers/gro.py
chemlab/io/handlers/gro_map.py
chemlab/io/handlers/hdf.py
chemlab/io/handlers/mol.py
chemlab/io/handlers/mol2.py
chemlab/io/handlers/pdb.py
chemlab/io/handlers/tinker.py
chemlab/io/handlers/utils.py
chemlab/io/handlers/xtctrr.py
chemlab/io/handlers/xyz.py
chemlab/libs/__init__.py
chemlab/libs/chemspipy.py
chemlab/libs/cirpy.py
chemlab/libs/ckdtree.pyx
chemlab/libs/periodic_kdtree.py
chemlab/libs/termcolor.py
chemlab/libs/pyxdr/__init__.py
chemlab/libs/pyxdr/_xdrfile.pxd
chemlab/libs/pyxdr/_xdrfile.pyx
chemlab/libs/pyxdr/xdrfile.c
chemlab/libs/pyxdr/xdrfile.h
chemlab/libs/pyxdr/xdrfile_trr.c
chemlab/libs/pyxdr/xdrfile_trr.h
chemlab/libs/pyxdr/xdrfile_xtc.c
chemlab/libs/pyxdr/xdrfile_xtc.h
chemlab/md/__init__.py
chemlab/md/analysis.py
chemlab/md/energy.py
chemlab/md/potential.py
chemlab/md/simulation.py
chemlab/mviewer/QIPythonWidget.py
chemlab/mviewer/__init__.py
chemlab/mviewer/events.py
chemlab/mviewer/qtmolecularviewer.py
chemlab/mviewer/api/__init__.py
chemlab/mviewer/api/appeareance.py
chemlab/mviewer/api/core.py
chemlab/mviewer/api/display.py
chemlab/mviewer/api/init.py
chemlab/mviewer/api/selections.py
chemlab/mviewer/api/ui.py
chemlab/mviewer/representations/__init__.py
chemlab/mviewer/representations/ballandstick.py
chemlab/mviewer/representations/obsarray.py
chemlab/mviewer/representations/state.py
chemlab/mviewer/representations/vdw.py
chemlab/notebook/__init__.py
chemlab/notebook/display.py
chemlab/qc/__init__.py
chemlab/qc/cgbf.py
chemlab/qc/one.py
chemlab/qc/pgbf.py
chemlab/qc/utils.py
chemlab/qc/wavefunction.py
chemlab/resources/__init__.py
chemlab/resources/hide_icon.svg
chemlab/resources/pause_icon.svg
chemlab/resources/play_icon.svg
chemlab/resources/select_atoms.svg
chemlab/resources/select_molecules.svg
chemlab/resources/settings_icon.svg
chemlab/resources/show_icon.svg
chemlab/utils/__init__.py
chemlab/utils/_covertree.pyx
chemlab/utils/cdist.pxd
chemlab/utils/cdist.pyx
chemlab/utils/celllinkedlist.pyx
chemlab/utils/covertree.py
chemlab/utils/distances.py
chemlab/utils/formula.py
chemlab/utils/geometry.py
chemlab/utils/neighbors.py
chemlab/utils/pbc.py
chemlab/utils/progressbar.py
docs/Makefile
docs/conf.py
docs/core.rst
docs/db.rst
docs/graphics.rst
docs/gromacs.rst
docs/index.rst
docs/installation.rst
docs/io.rst
docs/ipython.rst
docs/mviewer.rst
docs/whatsnew.rst
docs/_static/Chemlab 0.3 Demo.ipynb
docs/_static/ballandstick_renderer.png
docs/_static/chemlab.ipython demonstration.ipynb
docs/_static/core_types_copy.png
docs/_static/cylinder_renderer.png
docs/_static/display_trajectory.png
docs/_static/dummy
docs/_static/fxaa_on_off.png
docs/_static/gamma_off.png
docs/_static/gamma_on.png
docs/_static/gamma_on_off.png
docs/_static/glow_on_off.png
docs/_static/graphics_triangle.png
docs/_static/graphics_water.png
docs/_static/gromacs_tutorial.png
docs/_static/licl.png
docs/_static/line_renderer.png
docs/_static/merge_systems.png
docs/_static/multi_effects.png
docs/_static/mviewer_screen1.png
docs/_static/mviewer_screen2.png
docs/_static/norb_step1.png
docs/_static/norb_step2.png
docs/_static/outline_on_off.png
docs/_static/sphere_impostor_renderer.png
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docs/_static/ssao_off.png
docs/_static/ssao_on.png
docs/_static/ssao_on_off.png
docs/_static/subsystem_from_atoms.png
docs/_static/test_ssao_off.png
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docs/_static/tetrahedra_final.png
docs/_static/tetrahedron_vertices.png
docs/_static/triangle_renderer.png
docs/_static/wireframe_renderer.png
docs/_static/offline_rendering/butane.png
docs/_static/offline_rendering/ethane.png
docs/_static/offline_rendering/methane.png
docs/_static/offline_rendering/propane.png
docs/api/chemlab.core.rst
docs/api/chemlab.db.rst
docs/api/chemlab.graphics.postprocessing.rst
docs/api/chemlab.graphics.renderers.rst
docs/api/chemlab.graphics.rst
docs/api/chemlab.graphics.transformations.rst
docs/api/chemlab.graphics.uis.rst
docs/api/chemlab.io.handlers.rst
docs/api/chemlab.io.rst
docs/api/chemlab.mviewer.api.rst
docs/api/chemlab.notebook.rst
docs/api/chemlab.qc.rst
docs/api/chemlab.utils.rst
examples/__init__.py
examples/nacl.py
examples/offline_rendering.py
examples/tetrahedra_tutorial.py
examples/view_trajectory.py
scripts/chemlab
tests/__init__.py
tests/mock.py
tests/test_base.py
tests/test_core.py
tests/test_covertree.py
tests/test_db.py
tests/test_io.py
tests/test_md.py
tests/test_table.py
tests/test_trajectory.py
tests/test_utils.py
tests/testtools.py
tests/data/.git
tests/data/.gitignore
tests/data/3ZJE.pdb
tests/data/README.md
tests/data/benzene.mol
tests/data/cldp-il.ff
tests/data/cry.gro
tests/data/ds
tests/data/ener.edr
tests/data/mol.cml
tests/data/naclwater.gro
tests/data/pdb1g8p.ent
tests/data/sulphoxide.xyz
tests/data/tink.xyz
tests/data/tink2.xyz
tests/data/trajout.xtc
tests/data/water.gro
tests/data/cclib/water_mp2.out
tests/data/rdf/binfile.dat
tests/data/rdf/count.dat
tests/data/rdf/cry.gro
tests/data/rdf/distances.dat
tests/data/rdf/hist
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tests/data/rdf/index.ndx
tests/data/rdf/rdf.xvg