| openbabel-3.1.1-2 |
|---|
| Repository: main |
| Description: Open, collaborative project allowing anyone to search, convert, analyze, or store data from molecular modeling, chemistry, solid-state materials, biochemistry, or related areas |
| Upstream URL: https://openbabel.org |
| License: GPL |
| Package size: 4.0M |
| Installed size: 17.2M |
| Build date: 2024-04-12T21:48:13+02:00 |
| Packages groups: [] |
| Dependencies |
| gcc-libs |
| libxml2 |
| eigen3 |
| cairo |
| Make Dependencies |
| cmake |
| Files listing |
| 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/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/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 |