LICENSE
MANIFEST.in
README.md
setup.cfg
setup.py
DEERPREdict/DEER.py
DEERPREdict/PRE.py
DEERPREdict/__init__.py
DEERPREdict/lennardjones.py
DEERPREdict/libraries.py
DEERPREdict/utils.py
DEERPREdict.egg-info/PKG-INFO
DEERPREdict.egg-info/SOURCES.txt
DEERPREdict.egg-info/dependency_links.txt
DEERPREdict.egg-info/requires.txt
DEERPREdict.egg-info/top_level.txt
DEERPREdict/lib/BAS.dcd
DEERPREdict/lib/BAS.pdb
DEERPREdict/lib/BAS_weights.txt
DEERPREdict/lib/MA1.dcd
DEERPREdict/lib/MA1.pdb
DEERPREdict/lib/MA1_weights.txt
DEERPREdict/lib/MTSSL_175K_CaSd_216.dcd
DEERPREdict/lib/MTSSL_175K_CaSd_216.txt
DEERPREdict/lib/MTSSL_175K_CaSd_216_weights.txt
DEERPREdict/lib/MTSSL_175K_X1X2.pdb
DEERPREdict/lib/MTSSL_175K_X1X2_46.dcd
DEERPREdict/lib/MTSSL_175K_X1X2_46.txt
DEERPREdict/lib/MTSSL_175K_X1X2_46_weights.txt
DEERPREdict/lib/MTSSL_CaSd.pdb
DEERPREdict/lib/R1A.dcd
DEERPREdict/lib/R1A.pdb
DEERPREdict/lib/R1A_298K_UFF_216_r1_CASD.dcd
DEERPREdict/lib/R1A_298K_UFF_216_r1_CASD.txt
DEERPREdict/lib/R1A_298K_UFF_216_r1_CASD_weights.txt
DEERPREdict/lib/R1A_298K_UFF_216_r2_CASD.dcd
DEERPREdict/lib/R1A_298K_UFF_216_r2_CASD.txt
DEERPREdict/lib/R1A_298K_UFF_216_r2_CASD_weights.txt
DEERPREdict/lib/R1A_298K_UFF_216_r3_CASD.dcd
DEERPREdict/lib/R1A_298K_UFF_216_r3_CASD.txt
DEERPREdict/lib/R1A_298K_UFF_216_r3_CASD_weights.txt
DEERPREdict/lib/R1A_298K_UFF_216_r4_CASD.dcd
DEERPREdict/lib/R1A_298K_UFF_216_r4_CASD.txt
DEERPREdict/lib/R1A_298K_UFF_216_r4_CASD_weights.txt
DEERPREdict/lib/R1A_298K_UFF_216_r5_CASD.dcd
DEERPREdict/lib/R1A_298K_UFF_216_r5_CASD.txt
DEERPREdict/lib/R1A_298K_UFF_216_r5_CASD_weights.txt
DEERPREdict/lib/R1A_weights.txt
DEERPREdict/lib/gen_rot_lib_MMMx.ipynb
DEERPREdict/lib/libraries.yml
tests/test_DEER.py
tests/test_PRE.py