openbabel 3.1.1-9 File List
Package has 325 files and 21 directories.
- usr/
- usr/bin/
- usr/bin/obabel
- usr/bin/obconformer
- usr/bin/obdistgen
- usr/bin/obenergy
- usr/bin/obfit
- usr/bin/obfitall
- usr/bin/obgen
- usr/bin/obgrep
- usr/bin/obgui
- usr/bin/obminimize
- usr/bin/obmm
- usr/bin/obprobe
- usr/bin/obprop
- usr/bin/obrms
- usr/bin/obrotamer
- usr/bin/obrotate
- usr/bin/obspectrophore
- usr/bin/obsym
- usr/bin/obtautomer
- usr/bin/obthermo
- usr/bin/roundtrip
- usr/include/
- usr/include/inchi/
- usr/include/inchi/inchi_api.h
- usr/include/openbabel3/
- usr/include/openbabel3/LBFGS.h
- usr/include/openbabel3/LBFGS/
- usr/include/openbabel3/LBFGS/LineSearchBacktracking.h
- usr/include/openbabel3/LBFGS/LineSearchBracketing.h
- usr/include/openbabel3/LBFGS/LineSearchNocedalWright.h
- usr/include/openbabel3/LBFGS/Param.h
- usr/include/openbabel3/openbabel/
- usr/include/openbabel3/openbabel/alias.h
- usr/include/openbabel3/openbabel/atom.h
- usr/include/openbabel3/openbabel/babelconfig.h
- usr/include/openbabel3/openbabel/base.h
- usr/include/openbabel3/openbabel/bitvec.h
- usr/include/openbabel3/openbabel/bond.h
- usr/include/openbabel3/openbabel/bondtyper.h
- usr/include/openbabel3/openbabel/builder.h
- usr/include/openbabel3/openbabel/canon.h
- usr/include/openbabel3/openbabel/chains.h
- usr/include/openbabel3/openbabel/chargemodel.h
- usr/include/openbabel3/openbabel/chemdrawcdx.h
- usr/include/openbabel3/openbabel/conformersearch.h
- usr/include/openbabel3/openbabel/data.h
- usr/include/openbabel3/openbabel/data_utilities.h
- usr/include/openbabel3/openbabel/depict/
- usr/include/openbabel3/openbabel/depict/asciipainter.h
- usr/include/openbabel3/openbabel/depict/cairopainter.h
- usr/include/openbabel3/openbabel/depict/commandpainter.h
- usr/include/openbabel3/openbabel/depict/depict.h
- usr/include/openbabel3/openbabel/depict/painter.h
- usr/include/openbabel3/openbabel/depict/svgpainter.h
- usr/include/openbabel3/openbabel/descriptor.h
- usr/include/openbabel3/openbabel/distgeom.h
- usr/include/openbabel3/openbabel/dlhandler.h
- usr/include/openbabel3/openbabel/elements.h
- usr/include/openbabel3/openbabel/fingerprint.h
- usr/include/openbabel3/openbabel/forcefield.h
- usr/include/openbabel3/openbabel/format.h
- usr/include/openbabel3/openbabel/generic.h
- usr/include/openbabel3/openbabel/graphsym.h
- usr/include/openbabel3/openbabel/grid.h
- usr/include/openbabel3/openbabel/griddata.h
- usr/include/openbabel3/openbabel/groupcontrib.h
- usr/include/openbabel3/openbabel/inchiformat.h
- usr/include/openbabel3/openbabel/internalcoord.h
- usr/include/openbabel3/openbabel/isomorphism.h
- usr/include/openbabel3/openbabel/json.h
- usr/include/openbabel3/openbabel/kekulize.h
- usr/include/openbabel3/openbabel/kinetics.h
- usr/include/openbabel3/openbabel/lineend.h
- usr/include/openbabel3/openbabel/locale.h
- usr/include/openbabel3/openbabel/math/
- usr/include/openbabel3/openbabel/math/align.h
- usr/include/openbabel3/openbabel/math/erf.h
- usr/include/openbabel3/openbabel/math/matrix3x3.h
- usr/include/openbabel3/openbabel/math/spacegroup.h
- usr/include/openbabel3/openbabel/math/transform3d.h
- usr/include/openbabel3/openbabel/math/vector3.h
- usr/include/openbabel3/openbabel/matrix.h
- usr/include/openbabel3/openbabel/mcdlutil.h
- usr/include/openbabel3/openbabel/mol.h
- usr/include/openbabel3/openbabel/molchrg.h
- usr/include/openbabel3/openbabel/obconversion.h
- usr/include/openbabel3/openbabel/oberror.h
- usr/include/openbabel3/openbabel/obfunctions.h
- usr/include/openbabel3/openbabel/obiter.h
- usr/include/openbabel3/openbabel/obmolecformat.h
- usr/include/openbabel3/openbabel/obutil.h
- usr/include/openbabel3/openbabel/op.h
- usr/include/openbabel3/openbabel/optransform.h
- usr/include/openbabel3/openbabel/parsmart.h
- usr/include/openbabel3/openbabel/patty.h
- usr/include/openbabel3/openbabel/phmodel.h
- usr/include/openbabel3/openbabel/plugin.h
- usr/include/openbabel3/openbabel/pointgroup.h
- usr/include/openbabel3/openbabel/query.h
- usr/include/openbabel3/openbabel/reaction.h
- usr/include/openbabel3/openbabel/reactionfacade.h
- usr/include/openbabel3/openbabel/residue.h
- usr/include/openbabel3/openbabel/ring.h
- usr/include/openbabel3/openbabel/rotamer.h
- usr/include/openbabel3/openbabel/rotor.h
- usr/include/openbabel3/openbabel/shared_ptr.h
- usr/include/openbabel3/openbabel/spectrophore.h
- usr/include/openbabel3/openbabel/stereo/
- usr/include/openbabel3/openbabel/stereo/bindings.h
- usr/include/openbabel3/openbabel/stereo/cistrans.h
- usr/include/openbabel3/openbabel/stereo/squareplanar.h
- usr/include/openbabel3/openbabel/stereo/stereo.h
- usr/include/openbabel3/openbabel/stereo/tetrahedral.h
- usr/include/openbabel3/openbabel/stereo/tetranonplanar.h
- usr/include/openbabel3/openbabel/stereo/tetraplanar.h
- usr/include/openbabel3/openbabel/tautomer.h
- usr/include/openbabel3/openbabel/text.h
- usr/include/openbabel3/openbabel/tokenst.h
- usr/include/openbabel3/openbabel/typer.h
- usr/include/openbabel3/openbabel/xml.h
- usr/lib/
- usr/lib/cmake/
- usr/lib/cmake/openbabel3/
- usr/lib/cmake/openbabel3/OpenBabel3Config.cmake
- usr/lib/cmake/openbabel3/OpenBabel3ConfigVersion.cmake
- usr/lib/cmake/openbabel3/OpenBabel3_EXPORTS-release.cmake
- usr/lib/cmake/openbabel3/OpenBabel3_EXPORTS.cmake
- usr/lib/libinchi.so
- usr/lib/libinchi.so.0
- usr/lib/libinchi.so.0.4.1
- usr/lib/libopenbabel.so
- usr/lib/libopenbabel.so.7
- usr/lib/libopenbabel.so.7.0.0
- usr/lib/openbabel/
- usr/lib/openbabel/3.1.0/
- usr/lib/openbabel/3.1.0/APIInterface.so
- usr/lib/openbabel/3.1.0/CSRformat.so
- usr/lib/openbabel/3.1.0/MCDLformat.so
- usr/lib/openbabel/3.1.0/MNAformat.so
- usr/lib/openbabel/3.1.0/PQSformat.so
- usr/lib/openbabel/3.1.0/abinitformat.so
- usr/lib/openbabel/3.1.0/acesformat.so
- usr/lib/openbabel/3.1.0/acrformat.so
- usr/lib/openbabel/3.1.0/adfformat.so
- usr/lib/openbabel/3.1.0/alchemyformat.so
- usr/lib/openbabel/3.1.0/amberformat.so
- usr/lib/openbabel/3.1.0/aoforceformat.so
- usr/lib/openbabel/3.1.0/asciiformat.so
- usr/lib/openbabel/3.1.0/balstformat.so
- usr/lib/openbabel/3.1.0/bgfformat.so
- usr/lib/openbabel/3.1.0/boxformat.so
- usr/lib/openbabel/3.1.0/cacaoformat.so
- usr/lib/openbabel/3.1.0/cacheformat.so
- usr/lib/openbabel/3.1.0/carformat.so
- usr/lib/openbabel/3.1.0/castepformat.so
- usr/lib/openbabel/3.1.0/cccformat.so
- usr/lib/openbabel/3.1.0/cdxmlformat.so
- usr/lib/openbabel/3.1.0/chem3dformat.so
- usr/lib/openbabel/3.1.0/chemdoodlejsonformat.so
- usr/lib/openbabel/3.1.0/chemdrawcdx.so
- usr/lib/openbabel/3.1.0/chemdrawct.so
- usr/lib/openbabel/3.1.0/chemkinformat.so
- usr/lib/openbabel/3.1.0/chemtoolformat.so
- usr/lib/openbabel/3.1.0/cifformat.so
- usr/lib/openbabel/3.1.0/cmlformat.so
- usr/lib/openbabel/3.1.0/cmlreactformat.so
- usr/lib/openbabel/3.1.0/cofformat.so
- usr/lib/openbabel/3.1.0/confabreport.so
- usr/lib/openbabel/3.1.0/copyformat.so
- usr/lib/openbabel/3.1.0/crkformat.so
- usr/lib/openbabel/3.1.0/crystal09format.so
- usr/lib/openbabel/3.1.0/cssrformat.so
- usr/lib/openbabel/3.1.0/daltonformat.so
- usr/lib/openbabel/3.1.0/dlpolyformat.so
- usr/lib/openbabel/3.1.0/dmolformat.so
- usr/lib/openbabel/3.1.0/exyzformat.so
- usr/lib/openbabel/3.1.0/fastaformat.so
- usr/lib/openbabel/3.1.0/fastsearchformat.so
- usr/lib/openbabel/3.1.0/fchkformat.so
- usr/lib/openbabel/3.1.0/featformat.so
- usr/lib/openbabel/3.1.0/fhformat.so
- usr/lib/openbabel/3.1.0/fhiaimsformat.so
- usr/lib/openbabel/3.1.0/fingerprintformat.so
- usr/lib/openbabel/3.1.0/fpsformat.so
- usr/lib/openbabel/3.1.0/freefracformat.so
- usr/lib/openbabel/3.1.0/gamessformat.so
- usr/lib/openbabel/3.1.0/gamessukformat.so
- usr/lib/openbabel/3.1.0/gausscubeformat.so
- usr/lib/openbabel/3.1.0/gaussformat.so
- usr/lib/openbabel/3.1.0/gausszmatformat.so
- usr/lib/openbabel/3.1.0/ghemicalformat.so
- usr/lib/openbabel/3.1.0/groformat.so
- usr/lib/openbabel/3.1.0/gromos96format.so
- usr/lib/openbabel/3.1.0/gulpformat.so
- usr/lib/openbabel/3.1.0/hinformat.so
- usr/lib/openbabel/3.1.0/inchiformat.so
- usr/lib/openbabel/3.1.0/jaguarformat.so
- usr/lib/openbabel/3.1.0/lmpdatformat.so
- usr/lib/openbabel/3.1.0/lpmdformat.so
- usr/lib/openbabel/3.1.0/maeformat.so
- usr/lib/openbabel/3.1.0/mdffformat.so
- usr/lib/openbabel/3.1.0/mdlformat.so
- usr/lib/openbabel/3.1.0/mmcifformat.so
- usr/lib/openbabel/3.1.0/mmodformat.so
- usr/lib/openbabel/3.1.0/mol2format.so
- usr/lib/openbabel/3.1.0/moldenformat.so
- usr/lib/openbabel/3.1.0/molproformat.so
- usr/lib/openbabel/3.1.0/molreport.so
- usr/lib/openbabel/3.1.0/mopacformat.so
- usr/lib/openbabel/3.1.0/mpdformat.so
- usr/lib/openbabel/3.1.0/mpqcformat.so
- usr/lib/openbabel/3.1.0/msiformat.so
- usr/lib/openbabel/3.1.0/msmsformat.so
- usr/lib/openbabel/3.1.0/nulformat.so
- usr/lib/openbabel/3.1.0/nwchemformat.so
- usr/lib/openbabel/3.1.0/opendxformat.so
- usr/lib/openbabel/3.1.0/orcaformat.so
- usr/lib/openbabel/3.1.0/outformat.so
- usr/lib/openbabel/3.1.0/painterformat.so
- usr/lib/openbabel/3.1.0/pcmodelformat.so
- usr/lib/openbabel/3.1.0/pdbformat.so
- usr/lib/openbabel/3.1.0/pdbqtformat.so
- usr/lib/openbabel/3.1.0/plugin_charges.so
- usr/lib/openbabel/3.1.0/plugin_descriptors.so
- usr/lib/openbabel/3.1.0/plugin_fingerprints.so
- usr/lib/openbabel/3.1.0/plugin_forcefields.so
- usr/lib/openbabel/3.1.0/plugin_ops.so
- usr/lib/openbabel/3.1.0/png2format.so
- usr/lib/openbabel/3.1.0/pngformat.so
- usr/lib/openbabel/3.1.0/pointcloudformat.so
- usr/lib/openbabel/3.1.0/posformat.so
- usr/lib/openbabel/3.1.0/povrayformat.so
- usr/lib/openbabel/3.1.0/pqrformat.so
- usr/lib/openbabel/3.1.0/pubchem.so
- usr/lib/openbabel/3.1.0/pubchemjsonformat.so
- usr/lib/openbabel/3.1.0/pwscfformat.so
- usr/lib/openbabel/3.1.0/qchemformat.so
- usr/lib/openbabel/3.1.0/reportformat.so
- usr/lib/openbabel/3.1.0/rinchiformat.so
- usr/lib/openbabel/3.1.0/rsmiformat.so
- usr/lib/openbabel/3.1.0/rxnformat.so
- usr/lib/openbabel/3.1.0/shelxformat.so
- usr/lib/openbabel/3.1.0/siestaformat.so
- usr/lib/openbabel/3.1.0/smilesformat.so
- usr/lib/openbabel/3.1.0/smileyformat.so
- usr/lib/openbabel/3.1.0/stlformat.so
- usr/lib/openbabel/3.1.0/svgformat.so
- usr/lib/openbabel/3.1.0/textformat.so
- usr/lib/openbabel/3.1.0/thermoformat.so
- usr/lib/openbabel/3.1.0/tinkerformat.so
- usr/lib/openbabel/3.1.0/titleformat.so
- usr/lib/openbabel/3.1.0/turbomoleformat.so
- usr/lib/openbabel/3.1.0/unichemformat.so
- usr/lib/openbabel/3.1.0/vaspformat.so
- usr/lib/openbabel/3.1.0/viewmolformat.so
- usr/lib/openbabel/3.1.0/wlnformat.so
- usr/lib/openbabel/3.1.0/xedformat.so
- usr/lib/openbabel/3.1.0/xmlformat.so
- usr/lib/openbabel/3.1.0/xsfformat.so
- usr/lib/openbabel/3.1.0/xyzformat.so
- usr/lib/openbabel/3.1.0/yasaraformat.so
- usr/lib/openbabel/3.1.0/zindoformat.so
- usr/lib/pkgconfig/
- usr/lib/pkgconfig/openbabel-3.pc
- usr/share/
- usr/share/man/
- usr/share/man/man1/
- usr/share/man/man1/obabel.1.gz
- usr/share/man/man1/obchiral.1.gz
- usr/share/man/man1/obconformer.1.gz
- usr/share/man/man1/obdistgen.1.gz
- usr/share/man/man1/obenergy.1.gz
- usr/share/man/man1/obfit.1.gz
- usr/share/man/man1/obgen.1.gz
- usr/share/man/man1/obgrep.1.gz
- usr/share/man/man1/obgui.1.gz
- usr/share/man/man1/obminimize.1.gz
- usr/share/man/man1/obprobe.1.gz
- usr/share/man/man1/obprop.1.gz
- usr/share/man/man1/obrms.1.gz
- usr/share/man/man1/obrotamer.1.gz
- usr/share/man/man1/obrotate.1.gz
- usr/share/man/man1/obspectrophore.1.gz
- usr/share/man/man1/obsym.1.gz
- usr/share/man/man1/obtautomer.1.gz
- usr/share/man/man1/obthermo.1.gz
- usr/share/man/man1/roundtrip.1.gz
- usr/share/openbabel/
- usr/share/openbabel/3.1.0/
- usr/share/openbabel/3.1.0/MACCS.txt
- usr/share/openbabel/3.1.0/SMARTS_InteLigand.txt
- usr/share/openbabel/3.1.0/UFF.prm
- usr/share/openbabel/3.1.0/atomization-energies.txt
- usr/share/openbabel/3.1.0/atomtyp.txt
- usr/share/openbabel/3.1.0/babel_povray3.inc
- usr/share/openbabel/3.1.0/bondtyp.txt
- usr/share/openbabel/3.1.0/eem.txt
- usr/share/openbabel/3.1.0/eem2015ba.txt
- usr/share/openbabel/3.1.0/eem2015bm.txt
- usr/share/openbabel/3.1.0/eem2015bn.txt
- usr/share/openbabel/3.1.0/eem2015ha.txt
- usr/share/openbabel/3.1.0/eem2015hm.txt
- usr/share/openbabel/3.1.0/eem2015hn.txt
- usr/share/openbabel/3.1.0/eqeqIonizations.txt
- usr/share/openbabel/3.1.0/gaff.dat
- usr/share/openbabel/3.1.0/gaff.prm
- usr/share/openbabel/3.1.0/ghemical.prm
- usr/share/openbabel/3.1.0/logp.txt
- usr/share/openbabel/3.1.0/mmff94.ff
- usr/share/openbabel/3.1.0/mmff94s.ff
- usr/share/openbabel/3.1.0/mmffang.par
- usr/share/openbabel/3.1.0/mmffbndk.par
- usr/share/openbabel/3.1.0/mmffbond.par
- usr/share/openbabel/3.1.0/mmffchg.par
- usr/share/openbabel/3.1.0/mmffdef.par
- usr/share/openbabel/3.1.0/mmffdfsb.par
- usr/share/openbabel/3.1.0/mmffoop.par
- usr/share/openbabel/3.1.0/mmffpbci.par
- usr/share/openbabel/3.1.0/mmffprop.par
- usr/share/openbabel/3.1.0/mmffs_oop.par
- usr/share/openbabel/3.1.0/mmffs_tor.par
- usr/share/openbabel/3.1.0/mmffstbn.par
- usr/share/openbabel/3.1.0/mmfftor.par
- usr/share/openbabel/3.1.0/mmffvdw.par
- usr/share/openbabel/3.1.0/mpC.txt
- usr/share/openbabel/3.1.0/mr.txt
- usr/share/openbabel/3.1.0/patterns.txt
- usr/share/openbabel/3.1.0/phmodel.txt
- usr/share/openbabel/3.1.0/plugindefines.txt
- usr/share/openbabel/3.1.0/psa.txt
- usr/share/openbabel/3.1.0/qeq.txt
- usr/share/openbabel/3.1.0/resdata.txt
- usr/share/openbabel/3.1.0/rigid-fragments-index.txt
- usr/share/openbabel/3.1.0/rigid-fragments.txt
- usr/share/openbabel/3.1.0/ring-fragments.txt
- usr/share/openbabel/3.1.0/ringtyp.txt
- usr/share/openbabel/3.1.0/space-groups.txt
- usr/share/openbabel/3.1.0/splash.png
- usr/share/openbabel/3.1.0/superatom.txt
- usr/share/openbabel/3.1.0/svgformat.script
- usr/share/openbabel/3.1.0/templates.sdf
- usr/share/openbabel/3.1.0/torlib.txt
- usr/share/openbabel/3.1.0/torsion.txt
- usr/share/openbabel/3.1.0/types.txt