README.md
setup.py
molfunc/__init__.py
molfunc/atoms.py
molfunc/bonds.py
molfunc/exceptions.py
molfunc/fragments.py
molfunc/molecules.py
molfunc/molfunc.py
molfunc/utils.py
molfunc.egg-info/PKG-INFO
molfunc.egg-info/SOURCES.txt
molfunc.egg-info/dependency_links.txt
molfunc.egg-info/entry_points.txt
molfunc.egg-info/top_level.txt
molfunc/ext/molfunc_ext.c
molfunc/fragments_lib/Ac.xyz
molfunc/fragments_lib/Bn.xyz
molfunc/fragments_lib/Boc.xyz
molfunc/fragments_lib/Br.xyz
molfunc/fragments_lib/Bz.xyz
molfunc/fragments_lib/CF3.xyz
molfunc/fragments_lib/CH2OH.xyz
molfunc/fragments_lib/CN.xyz
molfunc/fragments_lib/CO2Et.xyz
molfunc/fragments_lib/CO2Me.xyz
molfunc/fragments_lib/Cl.xyz
molfunc/fragments_lib/Et.xyz
molfunc/fragments_lib/F.xyz
molfunc/fragments_lib/H.xyz
molfunc/fragments_lib/I.xyz
molfunc/fragments_lib/Me.xyz
molfunc/fragments_lib/Mes.xyz
molfunc/fragments_lib/Ms.xyz
molfunc/fragments_lib/NH2.xyz
molfunc/fragments_lib/NMe2.xyz
molfunc/fragments_lib/NO2.xyz
molfunc/fragments_lib/OH.xyz
molfunc/fragments_lib/OMe.xyz
molfunc/fragments_lib/OPh.xyz
molfunc/fragments_lib/OtBu.xyz
molfunc/fragments_lib/Ph.xyz
molfunc/fragments_lib/TMS.xyz
molfunc/fragments_lib/Tf.xyz
molfunc/fragments_lib/generate_fragments.py
molfunc/fragments_lib/iPr.xyz
molfunc/fragments_lib/tBu.xyz