MANIFEST.in
README.md
setup.cfg
setup.py
versioneer.py
offpele/__init__.py
offpele/_version.py
offpele/main.py
offpele.egg-info/PKG-INFO
offpele.egg-info/SOURCES.txt
offpele.egg-info/dependency_links.txt
offpele.egg-info/top_level.txt
offpele/data/complexes/LYS_BNZ.pdb
offpele/data/forcefields/GBSA_OBC1-1.0.offxml
offpele/data/forcefields/GBSA_OBC2-1.0.offxml
offpele/data/ligands/BIA.pdb
offpele/data/ligands/BNZ.mae
offpele/data/ligands/BNZ.pdb
offpele/data/ligands/BNZ_without_connectivity.pdb
offpele/data/ligands/LG1.pdb
offpele/data/ligands/MDB.pdb
offpele/data/ligands/OLC.pdb
offpele/data/ligands/SBN.pdb
offpele/data/ligands/TOL.mae
offpele/data/ligands/TOL.pdb
offpele/data/ligands/ammonium.pdb
offpele/data/ligands/ligand.pdb
offpele/data/ligands/malonate.pdb
offpele/data/ligands/trimethylglycine.pdb
offpele/data/parameters/f14_sgbnp.param
offpele/data/parameters/similarity.param
offpele/solvent/__init__.py
offpele/solvent/solvent.py
offpele/template/__init__.py
offpele/template/impact.py
offpele/tests/__init__.py
offpele/tests/test_main.py
offpele/tests/test_molecule.py
offpele/tests/test_parameters.py
offpele/tests/test_rotamers.py
offpele/tests/test_toolkits.py
offpele/tests/test_utils.py
offpele/tests/utils.py
offpele/topology/__init__.py
offpele/topology/molecule.py
offpele/topology/rotamer.py
offpele/topology/topology.py
offpele/topology/zmatrix.py
offpele/utils/__init__.py
offpele/utils/toolkits.py
offpele/utils/utils.py