LICENSE.txt
MANIFEST.in
README.rst
setup.cfg
setup.py
versioneer.py
molPX.egg-info/PKG-INFO
molPX.egg-info/SOURCES.txt
molPX.egg-info/dependency_links.txt
molPX.egg-info/requires.txt
molPX.egg-info/top_level.txt
molpx/__init__.py
molpx/_bmutils.py
molpx/_linkutils.py
molpx/_nbtools.py
molpx/_version.py
molpx/generate.py
molpx/visualize.py
molpx/notebooks/0.molPX_quick_intro_Ala2.ipynb
molpx/notebooks/1.molPX_and_PyEMMA_Features.ipynb
molpx/notebooks/2.molPX_TICA_BPTI.ipynb
molpx/notebooks/3.molPX_TICA_Ala2.ipynb
molpx/notebooks/4.molPX_metadynamics_Di-Ala.ipynb
molpx/notebooks/MEPs_naive.ipynb_bak
molpx/notebooks/data/ala2.meta.CV.reversed.txt
molpx/notebooks/data/ala2.meta.CV.txt
molpx/notebooks/data/ala2.meta.reversed.xtc
molpx/notebooks/data/ala2.meta.xtc
molpx/notebooks/data/ala2.mini.phi.psi.dat
molpx/notebooks/data/ala2.mini.xtc
molpx/notebooks/data/ala2.pdb
molpx/notebooks/data/bpti-c-alpha_centered.pdb
molpx/notebooks/data/c-alpha_centered.stride.1000.Y.npy
molpx/notebooks/data/c-alpha_centered.stride.1000.halved.Y.npy
molpx/notebooks/data/c-alpha_centered.stride.1000.halved.xtc
molpx/notebooks/data/c-alpha_centered.stride.1000.reversed.Y.npy
molpx/notebooks/data/c-alpha_centered.stride.1000.reversed.xtc
molpx/notebooks/data/c-alpha_centered.stride.1000.xtc
molpx/tests/__init__.py
molpx/tests/test_bmutils.py
molpx/tests/test_molPX.py
molpx/tests/test_nbtools.py
molpx/tests/test_visualize.py