MANIFEST.in
README.md
setup.py
chemstruct/__init__.py
chemstruct/atoms.py
chemstruct/bond_lengths.txt
chemstruct/constants.py
chemstruct/masses.txt
chemstruct/par_all36_cgenff.prm
chemstruct/quick.py
chemstruct/tools.py
chemstruct.egg-info/PKG-INFO
chemstruct.egg-info/SOURCES.txt
chemstruct.egg-info/dependency_links.txt
chemstruct.egg-info/top_level.txt
chemstruct/__pycache__/__init__.cpython-36.pyc
chemstruct/__pycache__/quick.cpython-36.pyc
chemstruct/examples/01_alkane.xyz
chemstruct/examples/__init__.py
chemstruct/examples/ex01.py
chemstruct/examples/ex02.py
chemstruct/examples/ex03.py
chemstruct/examples/rubber.xyz
chemstruct/files/__init__.py
chemstruct/files/charmm.py
chemstruct/files/csv.py
chemstruct/files/lmp.py
chemstruct/files/main.py
chemstruct/files/xyz.py
chemstruct/files/charmm_proof/01_alkane.xyz
chemstruct/files/charmm_proof/01_alkane_proof.xyz
chemstruct/files/charmm_proof/02_alkene.xyz
chemstruct/files/charmm_proof/02_alkene_proof.xyz
chemstruct/files/charmm_proof/04_imine.xyz
chemstruct/files/charmm_proof/04_imine_proof.xyz
chemstruct/files/charmm_proof/05_amide.xyz
chemstruct/files/charmm_proof/05_amide_proof.xyz
chemstruct/files/charmm_proof/06_acid.xyz
chemstruct/files/charmm_proof/06_acid_proof.xyz
chemstruct/files/charmm_proof/07_ester.xyz
chemstruct/files/charmm_proof/07_ester_proof.xyz
chemstruct/files/charmm_proof/08_ether.xyz
chemstruct/files/charmm_proof/08_ether_proof.xyz
chemstruct/files/charmm_proof/09_aldehyde.xyz
chemstruct/files/charmm_proof/09_aldehyde_proof.xyz
chemstruct/files/charmm_proof/10_ketone.xyz
chemstruct/files/charmm_proof/10_ketone_proof.xyz
chemstruct/files/charmm_proof/11_alcohol.xyz
chemstruct/files/charmm_proof/11_alcohol_proof.xyz
chemstruct/files/charmm_proof/12_cyanide.xyz
chemstruct/files/charmm_proof/12_cyanide_proof.xyz
chemstruct/files/charmm_proof/13_guanidine.xyz
chemstruct/files/charmm_proof/13_guanidine_proof.xyz
chemstruct/files/charmm_proof/14_amidine.xyz
chemstruct/files/charmm_proof/14_amidine_proof.xyz
chemstruct/files/charmm_proof/15_amine.xyz
chemstruct/files/charmm_proof/15_amine_proof.xyz
chemstruct/files/charmm_proof/16_CO2.xyz
chemstruct/files/charmm_proof/16_CO2_proof.xyz
chemstruct/files/charmm_proof/17_fluor.xyz
chemstruct/files/charmm_proof/17_fluor_proof.xyz
chemstruct/files/charmm_proof/18a_cycles.xyz
chemstruct/files/charmm_proof/18a_cycles_proof.xyz
chemstruct/files/charmm_proof/18b_cycles.xyz
chemstruct/files/charmm_proof/18b_cycles_proof.xyz
chemstruct/files/charmm_proof/18c_cycles.xyz
chemstruct/files/charmm_proof/18c_cycles_proof.xyz
chemstruct/files/charmm_proof/18d_cycles.xyz
chemstruct/files/charmm_proof/18d_cycles_proof.xyz
chemstruct/files/charmm_proof/19_nitro.xyz
chemstruct/files/charmm_proof/19_nitro_proof.xyz
chemstruct/files/charmm_proof/20_aniline.xyz
chemstruct/files/charmm_proof/20_aniline_proof.xyz
chemstruct/files/charmm_proof/21_P,S.xyz
chemstruct/files/charmm_proof/21_P,S_proof.xyz
chemstruct/files/charmm_proof/22_O.xyz
chemstruct/files/charmm_proof/22_O_proof.xyz
chemstruct/files/charmm_proof/23_Cl,Br,I.xyz
chemstruct/files/charmm_proof/23_Cl,Br,I_proof.xyz
chemstruct/files/charmm_proof/24_etc.xyz
chemstruct/files/charmm_proof/24_etc_proof.xyz