CHANGELOG.rst
LICENSE
MANIFEST.in
README.rst
setup.py
PyFraME.egg-info/PKG-INFO
PyFraME.egg-info/SOURCES.txt
PyFraME.egg-info/dependency_links.txt
PyFraME.egg-info/requires.txt
PyFraME.egg-info/top_level.txt
pyframe/VERSION
pyframe/__init__.py
pyframe/atoms.py
pyframe/errors.py
pyframe/fragments.py
pyframe/potentials.py
pyframe/process.py
pyframe/project.py
pyframe/readers.py
pyframe/regions.py
pyframe/system.py
pyframe/utils.py
pyframe/version.py
pyframe/writers.py
pyframe/data/sep.csv
pyframe/data/tip3p.csv
tests/__init__.py
tests/test_atoms.py
tests/test_fragments.py
tests/test_integration.py
tests/test_utils.py
tests/PNA_in_CCl4/PNA_in_CCl4.mol.ref
tests/PNA_in_CCl4/PNA_in_CCl4.pdb
tests/PNA_in_CCl4/PNA_in_CCl4.pot.ref
tests/insulin/10_A_ILE-11_A_CYX_dalton_loprop.out
tests/insulin/10_A_ILE-9_A_SER_dalton_loprop.out
tests/insulin/10_A_ILE_dalton_loprop.out
tests/insulin/10_B_HID-11_B_LEU_dalton_loprop.out
tests/insulin/10_B_HID-9_B_SER_dalton_loprop.out
tests/insulin/10_B_HID_dalton_loprop.out
tests/insulin/11_A_CYX-12_A_SER_dalton_loprop.out
tests/insulin/11_A_CYX-6_A_CYX_dalton_loprop.out
tests/insulin/11_A_CYX_dalton_loprop.out
tests/insulin/11_B_LEU-12_B_VAL_dalton_loprop.out
tests/insulin/11_B_LEU_dalton_loprop.out
tests/insulin/12_A_SER-13_A_LEU_dalton_loprop.out
tests/insulin/12_A_SER_dalton_loprop.out
tests/insulin/12_B_VAL-13_B_GLU_dalton_loprop.out
tests/insulin/12_B_VAL_dalton_loprop.out
tests/insulin/13_A_LEU-14_A_TYR_dalton_loprop.out
tests/insulin/13_A_LEU_dalton_loprop.out
tests/insulin/13_B_GLU-14_B_ALA_dalton_loprop.out
tests/insulin/13_B_GLU_dalton_loprop.out
tests/insulin/14_A_TYR-15_A_GLN_dalton_loprop.out
tests/insulin/14_A_TYR_dalton_loprop.out
tests/insulin/14_B_ALA-15_B_LEU_dalton_loprop.out
tests/insulin/14_B_ALA_dalton_loprop.out
tests/insulin/15_A_GLN-16_A_LEU_dalton_loprop.out
tests/insulin/15_A_GLN_dalton_loprop.out
tests/insulin/15_B_LEU-16_B_TYR_dalton_loprop.out
tests/insulin/15_B_LEU_dalton_loprop.out
tests/insulin/16_A_LEU-17_A_GLU_dalton_loprop.out
tests/insulin/16_A_LEU_dalton_loprop.out
tests/insulin/16_B_TYR-17_B_LEU_dalton_loprop.out
tests/insulin/16_B_TYR_dalton_loprop.out
tests/insulin/17_A_GLU-18_A_ASN_dalton_loprop.out
tests/insulin/17_A_GLU_dalton_loprop.out
tests/insulin/17_B_LEU-18_B_VAL_dalton_loprop.out
tests/insulin/17_B_LEU_dalton_loprop.out
tests/insulin/18_A_ASN-19_A_TYR_dalton_loprop.out
tests/insulin/18_A_ASN_dalton_loprop.out
tests/insulin/18_B_VAL-19_B_CYX_dalton_loprop.out
tests/insulin/18_B_VAL_dalton_loprop.out
tests/insulin/19_A_TYR-20_A_CYX_dalton_loprop.out
tests/insulin/19_A_TYR_dalton_loprop.out
tests/insulin/19_B_CYX-20_A_CYX_dalton_loprop.out
tests/insulin/19_B_CYX-20_B_GLY_dalton_loprop.out
tests/insulin/19_B_CYX_dalton_loprop.out
tests/insulin/1_A_GLY-2_A_ILE_dalton_loprop.out
tests/insulin/1_A_GLY_dalton_loprop.out
tests/insulin/1_B_PHE-2_B_VAL_dalton_loprop.out
tests/insulin/1_B_PHE_dalton_loprop.out
tests/insulin/20_A_CYX-21_A_ASN_dalton_loprop.out
tests/insulin/20_A_CYX_dalton_loprop.out
tests/insulin/20_B_GLY-21_B_GLU_dalton_loprop.out
tests/insulin/20_B_GLY_dalton_loprop.out
tests/insulin/21_A_ASN_dalton_loprop.out
tests/insulin/21_B_GLU-22_B_ARG_dalton_loprop.out
tests/insulin/21_B_GLU_dalton_loprop.out
tests/insulin/22_B_ARG-23_B_GLY_dalton_loprop.out
tests/insulin/22_B_ARG_dalton_loprop.out
tests/insulin/23_B_GLY-24_B_PHE_dalton_loprop.out
tests/insulin/23_B_GLY_dalton_loprop.out
tests/insulin/24_B_PHE-25_B_PHE_dalton_loprop.out
tests/insulin/24_B_PHE_dalton_loprop.out
tests/insulin/25_B_PHE-26_B_TYR_dalton_loprop.out
tests/insulin/25_B_PHE_dalton_loprop.out
tests/insulin/26_B_TYR-27_B_THR_dalton_loprop.out
tests/insulin/26_B_TYR_dalton_loprop.out
tests/insulin/27_B_THR-28_B_PRO_dalton_loprop.out
tests/insulin/27_B_THR_dalton_loprop.out
tests/insulin/28_B_PRO-29_B_LYS_dalton_loprop.out
tests/insulin/28_B_PRO_dalton_loprop.out
tests/insulin/29_B_LYS-30_B_THR_dalton_loprop.out
tests/insulin/29_B_LYS_dalton_loprop.out
tests/insulin/2_A_ILE-3_A_VAL_dalton_loprop.out
tests/insulin/2_A_ILE_dalton_loprop.out
tests/insulin/2_B_VAL-3_B_ASN_dalton_loprop.out
tests/insulin/2_B_VAL_dalton_loprop.out
tests/insulin/30_B_THR_dalton_loprop.out
tests/insulin/3_A_VAL-4_A_GLU_dalton_loprop.out
tests/insulin/3_A_VAL_dalton_loprop.out
tests/insulin/3_B_ASN-4_B_GLN_dalton_loprop.out
tests/insulin/3_B_ASN_dalton_loprop.out
tests/insulin/4_A_GLU-5_A_GLN_dalton_loprop.out
tests/insulin/4_A_GLU_dalton_loprop.out
tests/insulin/4_B_GLN-5_B_HIP_dalton_loprop.out
tests/insulin/4_B_GLN_dalton_loprop.out
tests/insulin/5_A_GLN-6_A_CYX_dalton_loprop.out
tests/insulin/5_A_GLN_dalton_loprop.out
tests/insulin/5_B_HIP-6_B_LEU_dalton_loprop.out
tests/insulin/5_B_HIP_dalton_loprop.out
tests/insulin/6_A_CYX-7_A_CYX_dalton_loprop.out
tests/insulin/6_A_CYX_dalton_loprop.out
tests/insulin/6_B_LEU-7_B_CYX_dalton_loprop.out
tests/insulin/6_B_LEU_dalton_loprop.out
tests/insulin/7_A_CYX-7_B_CYX_dalton_loprop.out
tests/insulin/7_A_CYX-8_A_THR_dalton_loprop.out
tests/insulin/7_A_CYX_dalton_loprop.out
tests/insulin/7_B_CYX-8_B_GLY_dalton_loprop.out
tests/insulin/7_B_CYX_dalton_loprop.out
tests/insulin/8_A_THR-9_A_SER_dalton_loprop.out
tests/insulin/8_A_THR_dalton_loprop.out
tests/insulin/8_B_GLY-9_B_SER_dalton_loprop.out
tests/insulin/8_B_GLY_dalton_loprop.out
tests/insulin/9_A_SER_dalton_loprop.out
tests/insulin/9_B_SER_dalton_loprop.out
tests/insulin/insulin.mol.ref
tests/insulin/insulin.pdb
tests/insulin/insulin.pot.ref
tests/permanganate/permanganate.mol.ref
tests/permanganate/permanganate.pdb
tests/permanganate/permanganate.pot.ref