MANIFEST.in
README.md
setup.py
./src/aggregate.cpp
./src/alias.cpp
./src/atom.cpp
./src/base.cpp
./src/bitvec.cpp
./src/bond.cpp
./src/bondtyper.cpp
./src/builder.cpp
./src/canon.cpp
./src/chains.cpp
./src/chargemodel.cpp
./src/chiral.cpp
./src/conformersearch.cpp
./src/confsearch.cpp
./src/data.cpp
./src/data_utilities.cpp
./src/descriptor.cpp
./src/distgeom.cpp
./src/doxygen_pages.cpp
./src/fingerprint.cpp
./src/forcefield.cpp
./src/format.cpp
./src/generic.cpp
./src/graphsym.cpp
./src/grid.cpp
./src/griddata.cpp
./src/isomorphism.cpp
./src/kekulize.cpp
./src/locale.cpp
./src/matrix.cpp
./src/mcdlutil.cpp
./src/memcpy.c
./src/mol.cpp
./src/molchrg.cpp
./src/obconversion.cpp
./src/oberror.cpp
./src/obiter.cpp
./src/obmolecformat.cpp
./src/obutil.cpp
./src/op.cpp
./src/parsmart.cpp
./src/patty.cpp
./src/phmodel.cpp
./src/plugin.cpp
./src/pointgroup.cpp
./src/query.cpp
./src/rand.cpp
./src/residue.cpp
./src/ring.cpp
./src/rotamer.cpp
./src/rotor.cpp
./src/spectrophore.cpp
./src/strncasecmp.c
./src/tautomer.cpp
./src/tokenst.cpp
./src/transform.cpp
./src/typer.cpp
./src/charges/eem.cpp
./src/charges/eqeq.cpp
./src/charges/fromfile.cpp
./src/charges/gasteiger.cpp
./src/charges/mmff94.cpp
./src/charges/none.cpp
./src/charges/qeq.cpp
./src/charges/qtpie.cpp
./src/depict/asciipainter.cpp
./src/depict/commandpainter.cpp
./src/depict/depict.cpp
./src/depict/svgpainter.cpp
./src/descriptors/cansmidescriptor.cpp
./src/descriptors/cmpdfilter.cpp
./src/descriptors/filters.cpp
./src/descriptors/groupcontrib.cpp
./src/descriptors/smartsdescriptors.cpp
./src/fingerprints/finger2.cpp
./src/fingerprints/finger3.cpp
./src/fingerprints/fingerecfp.cpp
./src/forcefields/forcefieldgaff.cpp
./src/forcefields/forcefieldghemical.cpp
./src/forcefields/forcefieldmm2.cpp
./src/forcefields/forcefieldmmff94.cpp
./src/forcefields/forcefielduff.cpp
./src/formats/APIInterface.cpp
./src/formats/ArrayList.c
./src/formats/CSRformat.cpp
./src/formats/MCDLformat.cpp
./src/formats/MNAformat.cpp
./src/formats/PQSformat.cpp
./src/formats/abinitformat.cpp
./src/formats/acesformat.cpp
./src/formats/acrformat.cpp
./src/formats/adfformat.cpp
./src/formats/alchemyformat.cpp
./src/formats/amberformat.cpp
./src/formats/aoforceformat.cpp
./src/formats/asciiformat.cpp
./src/formats/balstformat.cpp
./src/formats/bgfformat.cpp
./src/formats/boxformat.cpp
./src/formats/cacaoformat.cpp
./src/formats/cacheformat.cpp
./src/formats/carformat.cpp
./src/formats/castepformat.cpp
./src/formats/cccformat.cpp
./src/formats/chem3dformat.cpp
./src/formats/chemdrawcdx.cpp
./src/formats/chemdrawct.cpp
./src/formats/chemkinformat.cpp
./src/formats/chemtoolformat.cpp
./src/formats/cifformat.cpp
./src/formats/confabreport.cpp
./src/formats/copyformat.cpp
./src/formats/crkformat.cpp
./src/formats/crystal09format.cpp
./src/formats/cssrformat.cpp
./src/formats/daltonformat.cpp
./src/formats/dlpolyformat.cpp
./src/formats/dmolformat.cpp
./src/formats/exampleformat.cpp
./src/formats/exyzformat.cpp
./src/formats/fastaformat.cpp
./src/formats/fastsearchformat.cpp
./src/formats/fchkformat.cpp
./src/formats/featformat.cpp
./src/formats/fhformat.cpp
./src/formats/fhiaimsformat.cpp
./src/formats/fingerprintformat.cpp
./src/formats/fpsformat.cpp
./src/formats/freefracformat.cpp
./src/formats/gamessformat.cpp
./src/formats/gamessukformat.cpp
./src/formats/gausscubeformat.cpp
./src/formats/gaussformat.cpp
./src/formats/gausszmatformat.cpp
./src/formats/genbankformat.cpp
./src/formats/ghemicalformat.cpp
./src/formats/groformat.cpp
./src/formats/gromos96format.cpp
./src/formats/gulpformat.cpp
./src/formats/hinformat.cpp
./src/formats/jaguarformat.cpp
./src/formats/lmpdatformat.cpp
./src/formats/lpmdformat.cpp
./src/formats/mdffformat.cpp
./src/formats/mdlformat.cpp
./src/formats/mmcifformat.cpp
./src/formats/mmodformat.cpp
./src/formats/mol2format.cpp
./src/formats/moldenformat.cpp
./src/formats/molproformat.cpp
./src/formats/molreport.cpp
./src/formats/mopacformat.cpp
./src/formats/mpdformat.cpp
./src/formats/mpqcformat.cpp
./src/formats/msiformat.cpp
./src/formats/msmsformat.cpp
./src/formats/nulformat.cpp
./src/formats/nwchemformat.cpp
./src/formats/opendxformat.cpp
./src/formats/orcaformat.cpp
./src/formats/outformat.cpp
./src/formats/painterformat.cpp
./src/formats/pcmodelformat.cpp
./src/formats/pdbformat.cpp
./src/formats/pdbqtformat.cpp
./src/formats/pointcloudformat.cpp
./src/formats/posformat.cpp
./src/formats/povrayformat.cpp
./src/formats/pqrformat.cpp
./src/formats/pwscfformat.cpp
./src/formats/qchemformat.cpp
./src/formats/reportformat.cpp
./src/formats/rsmiformat.cpp
./src/formats/rxnformat.cpp
./src/formats/shelxformat.cpp
./src/formats/siestaformat.cpp
./src/formats/smileyformat.cpp
./src/formats/stlformat.cpp
./src/formats/svgformat.cpp
./src/formats/textformat.cpp
./src/formats/thermoformat.cpp
./src/formats/tinkerformat.cpp
./src/formats/titleformat.cpp
./src/formats/turbomoleformat.cpp
./src/formats/unichemformat.cpp
./src/formats/vaspformat.cpp
./src/formats/viewmolformat.cpp
./src/formats/xedformat.cpp
./src/formats/xsfformat.cpp
./src/formats/xtcformat.cpp
./src/formats/xyzformat.cpp
./src/formats/yasaraformat.cpp
./src/formats/zindoformat.cpp
./src/math/align.cpp
./src/math/matrix3x3.cpp
./src/math/spacegroup.cpp
./src/math/transform3d.cpp
./src/math/vector3.cpp
./src/ops/addfilename.cpp
./src/ops/addinindex.cpp
./src/ops/addnonpolarh.cpp
./src/ops/addpolarh.cpp
./src/ops/canonical.cpp
./src/ops/changecell.cpp
./src/ops/conformer.cpp
./src/ops/delnonpolarh.cpp
./src/ops/delpolarh.cpp
./src/ops/fillUC.cpp
./src/ops/forcefield.cpp
./src/ops/gen2D.cpp
./src/ops/gen3d.cpp
./src/ops/largest.cpp
./src/ops/loader.cpp
./src/ops/opalign.cpp
./src/ops/opconfab.cpp
./src/ops/ophighlight.cpp
./src/ops/opisomorph.cpp
./src/ops/opsplit.cpp
./src/ops/optransform.cpp
./src/ops/partialcharges.cpp
./src/ops/readconformers.cpp
./src/ops/xout.cpp
./src/stereo/cistrans.cpp
./src/stereo/facade.cpp
./src/stereo/perception.cpp
./src/stereo/squareplanar.cpp
./src/stereo/stereo.cpp
./src/stereo/tetrahedral.cpp
./src/stereo/tetranonplanar.cpp
./src/stereo/tetraplanar.cpp
include/aromatic.h
include/atomtyp.h
include/bondtyp.h
include/element.h
include/isotope.h
include/phmodeldata.h
include/resdata.h
include/torlib.h
include/types.h
include/charges/eqeq.h
include/charges/qeq.h
include/charges/qtpie.h
include/forcefields/forcefieldgaff.h
include/forcefields/forcefieldghemical.h
include/forcefields/forcefieldmm2.h
include/forcefields/forcefieldmmff94.h
include/forcefields/forcefielduff.h
include/formats/ArrayList.h
include/formats/chemdrawcdx.h
include/formats/mdlvalence.h
include/formats/smiley.h
include/openbabel/aggregate.h
include/openbabel/alias.h
include/openbabel/atom.h
include/openbabel/atomclass.h
include/openbabel/babelconfig.h
include/openbabel/base.h
include/openbabel/bitvec.h
include/openbabel/bond.h
include/openbabel/bondtyper.h
include/openbabel/builder.h
include/openbabel/canon.h
include/openbabel/chains.h
include/openbabel/chargemodel.h
include/openbabel/chiral.h
include/openbabel/conformersearch.h
include/openbabel/data.h
include/openbabel/data_utilities.h
include/openbabel/descriptor.h
include/openbabel/distgeom.h
include/openbabel/fingerprint.h
include/openbabel/forcefield.h
include/openbabel/format.h
include/openbabel/generic.h
include/openbabel/graphsym.h
include/openbabel/grid.h
include/openbabel/griddata.h
include/openbabel/groupcontrib.h
include/openbabel/internalcoord.h
include/openbabel/isomorphism.h
include/openbabel/kinetics.h
include/openbabel/lineend.h
include/openbabel/locale.h
include/openbabel/matrix.h
include/openbabel/mcdlutil.h
include/openbabel/mol.h
include/openbabel/molchrg.h
include/openbabel/obconversion.h
include/openbabel/oberror.h
include/openbabel/obiter.h
include/openbabel/obmolecformat.h
include/openbabel/obutil.h
include/openbabel/op.h
include/openbabel/optransform.h
include/openbabel/parsmart.h
include/openbabel/patty.h
include/openbabel/phmodel.h
include/openbabel/plugin.h
include/openbabel/pointgroup.h
include/openbabel/query.h
include/openbabel/rand.h
include/openbabel/reaction.h
include/openbabel/residue.h
include/openbabel/ring.h
include/openbabel/rotamer.h
include/openbabel/rotor.h
include/openbabel/shared_ptr.h
include/openbabel/spectrophore.h
include/openbabel/tautomer.h
include/openbabel/text.h
include/openbabel/tokenst.h
include/openbabel/typer.h
include/openbabel/depict/asciipainter.h
include/openbabel/depict/commandpainter.h
include/openbabel/depict/depict.h
include/openbabel/depict/painter.h
include/openbabel/depict/svgpainter.h
include/openbabel/math/align.h
include/openbabel/math/erf.h
include/openbabel/math/matrix3x3.h
include/openbabel/math/spacegroup.h
include/openbabel/math/transform3d.h
include/openbabel/math/vector3.h
include/openbabel/stereo/bindings.h
include/openbabel/stereo/cistrans.h
include/openbabel/stereo/squareplanar.h
include/openbabel/stereo/stereo.h
include/openbabel/stereo/tetrahedral.h
include/openbabel/stereo/tetranonplanar.h
include/openbabel/stereo/tetraplanar.h
include/openbabel/tree/tree.hh
include/openbabel/tree/tree_util.hh
include/ops/deferred.h
include/ops/opisomorph.h
include/stereo/stereoutil.h
maagbel/__init__.py
maagbel/cpp.i
maagbel/pybel.py
maagbel.egg-info/PKG-INFO
maagbel.egg-info/SOURCES.txt
maagbel.egg-info/dependency_links.txt
maagbel.egg-info/top_level.txt
maagbel/data/MACCS.txt
maagbel/data/SMARTS_InteLigand.txt
maagbel/data/UFF.prm
maagbel/data/aromatic.txt
maagbel/data/atomization-energies.txt
maagbel/data/atomtyp.txt
maagbel/data/babel_povray3.inc
maagbel/data/bondtyp.txt
maagbel/data/eem.txt
maagbel/data/eem2015ba.txt
maagbel/data/eem2015bm.txt
maagbel/data/eem2015bn.txt
maagbel/data/eem2015ha.txt
maagbel/data/eem2015hm.txt
maagbel/data/eem2015hn.txt
maagbel/data/element.txt
maagbel/data/eqeqIonizations.txt
maagbel/data/fragments.txt
maagbel/data/gaff.dat
maagbel/data/gaff.prm
maagbel/data/ghemical.prm
maagbel/data/isotope-small.txt
maagbel/data/isotope.txt
maagbel/data/logp.txt
maagbel/data/mmff94.ff
maagbel/data/mmff94s.ff
maagbel/data/mmffang.par
maagbel/data/mmffbndk.par
maagbel/data/mmffbond.par
maagbel/data/mmffchg.par
maagbel/data/mmffdef.par
maagbel/data/mmffdfsb.par
maagbel/data/mmffoop.par
maagbel/data/mmffpbci.par
maagbel/data/mmffprop.par
maagbel/data/mmffs_oop.par
maagbel/data/mmffs_tor.par
maagbel/data/mmffstbn.par
maagbel/data/mmfftor.par
maagbel/data/mmffvdw.par
maagbel/data/mpC.txt
maagbel/data/mr.txt
maagbel/data/patterns.txt
maagbel/data/phmodel.txt
maagbel/data/plugindefines.txt
maagbel/data/psa.txt
maagbel/data/qeq.txt
maagbel/data/resdata.txt
maagbel/data/ringtyp.txt
maagbel/data/space-groups.txt
maagbel/data/superatom.txt
maagbel/data/svgformat.script
maagbel/data/templates.sdf
maagbel/data/torlib.txt
maagbel/data/types.txt