.editorconfig
.gitignore
.travis.yml
AUTHORS.rst
CONTRIBUTING.rst
HISTORY.rst
LICENSE
MANIFEST.in
Makefile
README.rst
Snakefile
requirements_dev.txt
setup.cfg
setup.py
tox.ini
.github/ISSUE_TEMPLATE.md
.github/workflows/ci-cd.yml
bin/10_InteractionSurface.py
bin/11_DissocationAnalysis.py
bin/1_mutation.py
bin/2_MD.py
bin/3_ExplorativeTrajectoryAnalysis.py
bin/4_centerMDTraj.py
bin/5_PoseScoring.py
bin/6_Ana_PoseScoring.py
bin/7_interactionFingerprint.py
bin/8_GlobalFinterprintAnalysis.py
bin/9_FreeEnergyStats.py
bin/Helper.py
bin/squeeze
config/RMSD.rst
config/RMSF.rst
config/interaction.rst
config/posco.rst
config/pymol_template.pml
demo/config/README.md
demo/config/params.yml
demo/config/simulations.csv
demo/pdb/12_C1s_Tyr_BD001.pdb
demo/pdb/13_C1s-BD001.pdb
docs/Makefile
docs/authors.rst
docs/conf.py
docs/contributing.rst
docs/history.rst
docs/index.rst
docs/installation.rst
docs/make.bat
docs/readme.rst
docs/usage.rst
install/INSTALL.md
install/install_bins_linux.sh
install/install_bins_mac.sh
install/squeeze_env.yml
install/upgrade_package.sh
squeezemd/__init__.py
squeezemd/cli.py
squeezemd.egg-info/PKG-INFO
squeezemd.egg-info/SOURCES.txt
squeezemd.egg-info/dependency_links.txt
squeezemd.egg-info/entry_points.txt
squeezemd.egg-info/not-zip-safe
squeezemd.egg-info/top_level.txt
tests/__init__.py
tests/test_squeezemd.py