diff options
Diffstat (limited to 'biology/openbabel/PLIST')
-rw-r--r-- | biology/openbabel/PLIST | 414 |
1 files changed, 230 insertions, 184 deletions
diff --git a/biology/openbabel/PLIST b/biology/openbabel/PLIST index 66c529188f1..389be81d73f 100644 --- a/biology/openbabel/PLIST +++ b/biology/openbabel/PLIST @@ -1,6 +1,8 @@ -@comment $NetBSD: PLIST,v 1.4 2019/11/20 17:02:12 kamil Exp $ +@comment $NetBSD: PLIST,v 1.5 2020/06/29 12:10:34 ryoon Exp $ bin/obabel bin/obconformer +bin/obdistgen +${PLIST.wx-gui}bin/obgui bin/obenergy bin/obfit bin/obfitall @@ -10,6 +12,7 @@ bin/obminimize bin/obmm bin/obprobe bin/obprop +bin/obrms bin/obrotamer bin/obrotate bin/obspectrophore @@ -17,7 +20,39 @@ bin/obsym bin/obtautomer bin/obthermo bin/roundtrip +include/coordgen/CoordgenConfig.hpp +include/coordgen/CoordgenFragmentBuilder.h +include/coordgen/CoordgenFragmenter.h +include/coordgen/CoordgenMacrocycleBuilder.h +include/coordgen/CoordgenMinimizer.h +include/coordgen/sketcherMinimizer.h +include/coordgen/sketcherMinimizerAtom.h +include/coordgen/sketcherMinimizerBendInteraction.h +include/coordgen/sketcherMinimizerBond.h +include/coordgen/sketcherMinimizerClashInteraction.h +include/coordgen/sketcherMinimizerEZConstrainInteraction.h +include/coordgen/sketcherMinimizerFragment.h +include/coordgen/sketcherMinimizerInteraction.h +include/coordgen/sketcherMinimizerMarchingSquares.h +include/coordgen/sketcherMinimizerMaths.h +include/coordgen/sketcherMinimizerMolecule.h +include/coordgen/sketcherMinimizerResidue.h +include/coordgen/sketcherMinimizerResidueInteraction.h +include/coordgen/sketcherMinimizerRing.h +include/coordgen/sketcherMinimizerStretchInteraction.h include/inchi/inchi_api.h +include/maeparser/Buffer.hpp +include/maeparser/MaeBlock.hpp +include/maeparser/MaeConstants.hpp +include/maeparser/MaeParser.hpp +include/maeparser/MaeParserConfig.hpp +include/maeparser/Reader.hpp +include/maeparser/Writer.hpp +include/openbabel3/LBFGS.h +include/openbabel3/LBFGS/LineSearchBacktracking.h +include/openbabel3/LBFGS/LineSearchBracketing.h +include/openbabel3/LBFGS/LineSearchNocedalWright.h +include/openbabel3/LBFGS/Param.h include/openbabel3/openbabel/alias.h include/openbabel3/openbabel/atom.h include/openbabel3/openbabel/babelconfig.h @@ -103,143 +138,154 @@ include/openbabel3/openbabel/text.h include/openbabel3/openbabel/tokenst.h include/openbabel3/openbabel/typer.h include/openbabel3/openbabel/xml.h +lib/cmake/coordgen-config-release.cmake +lib/cmake/coordgen-config.cmake +lib/cmake/maeparser-config-release.cmake +lib/cmake/maeparser-config.cmake lib/cmake/openbabel3/OpenBabel3Config.cmake lib/cmake/openbabel3/OpenBabel3ConfigVersion.cmake lib/cmake/openbabel3/OpenBabel3_EXPORTS-release.cmake lib/cmake/openbabel3/OpenBabel3_EXPORTS.cmake +lib/libcoordgen.so +lib/libcoordgen.so.1 +lib/libcoordgen.so.1.4.0 lib/libinchi.so lib/libinchi.so.0 lib/libinchi.so.0.4.1 +lib/libmaeparser.so +lib/libmaeparser.so.1 +lib/libmaeparser.so.1.2.3 lib/libopenbabel.so -lib/libopenbabel.so.6 -lib/libopenbabel.so.6.0.0 -lib/openbabel/${PKGVERSION}/APIInterface.so -lib/openbabel/${PKGVERSION}/CSRformat.so -lib/openbabel/${PKGVERSION}/MCDLformat.so -lib/openbabel/${PKGVERSION}/MNAformat.so -lib/openbabel/${PKGVERSION}/PQSformat.so -lib/openbabel/${PKGVERSION}/abinitformat.so -lib/openbabel/${PKGVERSION}/acesformat.so -lib/openbabel/${PKGVERSION}/acrformat.so -lib/openbabel/${PKGVERSION}/adfformat.so -lib/openbabel/${PKGVERSION}/alchemyformat.so -lib/openbabel/${PKGVERSION}/amberformat.so -lib/openbabel/${PKGVERSION}/aoforceformat.so -lib/openbabel/${PKGVERSION}/asciiformat.so -lib/openbabel/${PKGVERSION}/balstformat.so -lib/openbabel/${PKGVERSION}/bgfformat.so -lib/openbabel/${PKGVERSION}/boxformat.so -lib/openbabel/${PKGVERSION}/cacaoformat.so -lib/openbabel/${PKGVERSION}/cacheformat.so -lib/openbabel/${PKGVERSION}/carformat.so -lib/openbabel/${PKGVERSION}/castepformat.so -lib/openbabel/${PKGVERSION}/cccformat.so -lib/openbabel/${PKGVERSION}/cdxmlformat.so -lib/openbabel/${PKGVERSION}/chem3dformat.so -lib/openbabel/${PKGVERSION}/chemdoodlejsonformat.so -lib/openbabel/${PKGVERSION}/chemdrawcdx.so -lib/openbabel/${PKGVERSION}/chemdrawct.so -lib/openbabel/${PKGVERSION}/chemkinformat.so -lib/openbabel/${PKGVERSION}/chemtoolformat.so -lib/openbabel/${PKGVERSION}/cifformat.so -lib/openbabel/${PKGVERSION}/cmlformat.so -lib/openbabel/${PKGVERSION}/cmlreactformat.so -lib/openbabel/${PKGVERSION}/cofformat.so -lib/openbabel/${PKGVERSION}/confabreport.so -lib/openbabel/${PKGVERSION}/copyformat.so -lib/openbabel/${PKGVERSION}/crkformat.so -lib/openbabel/${PKGVERSION}/crystal09format.so -lib/openbabel/${PKGVERSION}/cssrformat.so -lib/openbabel/${PKGVERSION}/daltonformat.so -lib/openbabel/${PKGVERSION}/dlpolyformat.so -lib/openbabel/${PKGVERSION}/dmolformat.so -lib/openbabel/${PKGVERSION}/exyzformat.so -lib/openbabel/${PKGVERSION}/fastaformat.so -lib/openbabel/${PKGVERSION}/fastsearchformat.so -lib/openbabel/${PKGVERSION}/fchkformat.so -lib/openbabel/${PKGVERSION}/featformat.so -lib/openbabel/${PKGVERSION}/fhformat.so -lib/openbabel/${PKGVERSION}/fhiaimsformat.so -lib/openbabel/${PKGVERSION}/fingerprintformat.so -lib/openbabel/${PKGVERSION}/fpsformat.so -lib/openbabel/${PKGVERSION}/freefracformat.so -lib/openbabel/${PKGVERSION}/gamessformat.so -lib/openbabel/${PKGVERSION}/gamessukformat.so -lib/openbabel/${PKGVERSION}/gausscubeformat.so -lib/openbabel/${PKGVERSION}/gaussformat.so -lib/openbabel/${PKGVERSION}/gausszmatformat.so -lib/openbabel/${PKGVERSION}/ghemicalformat.so -lib/openbabel/${PKGVERSION}/groformat.so -lib/openbabel/${PKGVERSION}/gromos96format.so -lib/openbabel/${PKGVERSION}/gulpformat.so -lib/openbabel/${PKGVERSION}/hinformat.so -lib/openbabel/${PKGVERSION}/inchiformat.so -lib/openbabel/${PKGVERSION}/jaguarformat.so -lib/openbabel/${PKGVERSION}/lmpdatformat.so -lib/openbabel/${PKGVERSION}/lpmdformat.so -lib/openbabel/${PKGVERSION}/mdffformat.so -lib/openbabel/${PKGVERSION}/mdlformat.so -lib/openbabel/${PKGVERSION}/mmcifformat.so -lib/openbabel/${PKGVERSION}/mmodformat.so -lib/openbabel/${PKGVERSION}/mol2format.so -lib/openbabel/${PKGVERSION}/moldenformat.so -lib/openbabel/${PKGVERSION}/molproformat.so -lib/openbabel/${PKGVERSION}/molreport.so -lib/openbabel/${PKGVERSION}/mopacformat.so -lib/openbabel/${PKGVERSION}/mpdformat.so -lib/openbabel/${PKGVERSION}/mpqcformat.so -lib/openbabel/${PKGVERSION}/msiformat.so -lib/openbabel/${PKGVERSION}/msmsformat.so -lib/openbabel/${PKGVERSION}/nulformat.so -lib/openbabel/${PKGVERSION}/nwchemformat.so -lib/openbabel/${PKGVERSION}/opendxformat.so -lib/openbabel/${PKGVERSION}/orcaformat.so -lib/openbabel/${PKGVERSION}/outformat.so -lib/openbabel/${PKGVERSION}/painterformat.so -lib/openbabel/${PKGVERSION}/pcmodelformat.so -lib/openbabel/${PKGVERSION}/pdbformat.so -lib/openbabel/${PKGVERSION}/pdbqtformat.so -lib/openbabel/${PKGVERSION}/plugin_charges.so -lib/openbabel/${PKGVERSION}/plugin_descriptors.so -lib/openbabel/${PKGVERSION}/plugin_fingerprints.so -lib/openbabel/${PKGVERSION}/plugin_forcefields.so -lib/openbabel/${PKGVERSION}/plugin_ops.so -lib/openbabel/${PKGVERSION}/png2format.so -lib/openbabel/${PKGVERSION}/pngformat.so -lib/openbabel/${PKGVERSION}/pointcloudformat.so -lib/openbabel/${PKGVERSION}/posformat.so -lib/openbabel/${PKGVERSION}/povrayformat.so -lib/openbabel/${PKGVERSION}/pqrformat.so -lib/openbabel/${PKGVERSION}/pubchem.so -lib/openbabel/${PKGVERSION}/pubchemjsonformat.so -lib/openbabel/${PKGVERSION}/pwscfformat.so -lib/openbabel/${PKGVERSION}/qchemformat.so -lib/openbabel/${PKGVERSION}/reportformat.so -lib/openbabel/${PKGVERSION}/rinchiformat.so -lib/openbabel/${PKGVERSION}/rsmiformat.so -lib/openbabel/${PKGVERSION}/rxnformat.so -lib/openbabel/${PKGVERSION}/shelxformat.so -lib/openbabel/${PKGVERSION}/siestaformat.so -lib/openbabel/${PKGVERSION}/smilesformat.so -lib/openbabel/${PKGVERSION}/smileyformat.so -lib/openbabel/${PKGVERSION}/stlformat.so -lib/openbabel/${PKGVERSION}/svgformat.so -lib/openbabel/${PKGVERSION}/textformat.so -lib/openbabel/${PKGVERSION}/thermoformat.so -lib/openbabel/${PKGVERSION}/tinkerformat.so -lib/openbabel/${PKGVERSION}/titleformat.so -lib/openbabel/${PKGVERSION}/turbomoleformat.so -lib/openbabel/${PKGVERSION}/unichemformat.so -lib/openbabel/${PKGVERSION}/vaspformat.so -lib/openbabel/${PKGVERSION}/viewmolformat.so -lib/openbabel/${PKGVERSION}/xedformat.so -lib/openbabel/${PKGVERSION}/xmlformat.so -lib/openbabel/${PKGVERSION}/xsfformat.so -lib/openbabel/${PKGVERSION}/xyzformat.so -lib/openbabel/${PKGVERSION}/yasaraformat.so -lib/openbabel/${PKGVERSION}/zindoformat.so +lib/libopenbabel.so.7 +lib/libopenbabel.so.7.0.0 +lib/openbabel/3.1.0/APIInterface.so +lib/openbabel/3.1.0/CSRformat.so +lib/openbabel/3.1.0/MCDLformat.so +lib/openbabel/3.1.0/MNAformat.so +lib/openbabel/3.1.0/PQSformat.so +lib/openbabel/3.1.0/abinitformat.so +lib/openbabel/3.1.0/acesformat.so +lib/openbabel/3.1.0/acrformat.so +lib/openbabel/3.1.0/adfformat.so +lib/openbabel/3.1.0/alchemyformat.so +lib/openbabel/3.1.0/amberformat.so +lib/openbabel/3.1.0/aoforceformat.so +lib/openbabel/3.1.0/asciiformat.so +lib/openbabel/3.1.0/balstformat.so +lib/openbabel/3.1.0/bgfformat.so +lib/openbabel/3.1.0/boxformat.so +lib/openbabel/3.1.0/cacaoformat.so +lib/openbabel/3.1.0/cacheformat.so +lib/openbabel/3.1.0/carformat.so +lib/openbabel/3.1.0/castepformat.so +lib/openbabel/3.1.0/cccformat.so +lib/openbabel/3.1.0/cdxmlformat.so +lib/openbabel/3.1.0/chem3dformat.so +lib/openbabel/3.1.0/chemdoodlejsonformat.so +lib/openbabel/3.1.0/chemdrawcdx.so +lib/openbabel/3.1.0/chemdrawct.so +lib/openbabel/3.1.0/chemkinformat.so +lib/openbabel/3.1.0/chemtoolformat.so +lib/openbabel/3.1.0/cifformat.so +lib/openbabel/3.1.0/cmlformat.so +lib/openbabel/3.1.0/cmlreactformat.so +lib/openbabel/3.1.0/cofformat.so +lib/openbabel/3.1.0/confabreport.so +lib/openbabel/3.1.0/copyformat.so +lib/openbabel/3.1.0/crkformat.so +lib/openbabel/3.1.0/crystal09format.so 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+lib/openbabel/3.1.0/lpmdformat.so +lib/openbabel/3.1.0/maeformat.so +lib/openbabel/3.1.0/mdffformat.so +lib/openbabel/3.1.0/mdlformat.so +lib/openbabel/3.1.0/mmcifformat.so +lib/openbabel/3.1.0/mmodformat.so +lib/openbabel/3.1.0/mol2format.so +lib/openbabel/3.1.0/moldenformat.so +lib/openbabel/3.1.0/molproformat.so +lib/openbabel/3.1.0/molreport.so +lib/openbabel/3.1.0/mopacformat.so +lib/openbabel/3.1.0/mpdformat.so +lib/openbabel/3.1.0/mpqcformat.so +lib/openbabel/3.1.0/msiformat.so +lib/openbabel/3.1.0/msmsformat.so +lib/openbabel/3.1.0/nulformat.so +lib/openbabel/3.1.0/nwchemformat.so +lib/openbabel/3.1.0/opendxformat.so +lib/openbabel/3.1.0/orcaformat.so +lib/openbabel/3.1.0/outformat.so +lib/openbabel/3.1.0/painterformat.so +lib/openbabel/3.1.0/pcmodelformat.so +lib/openbabel/3.1.0/pdbformat.so +lib/openbabel/3.1.0/pdbqtformat.so +lib/openbabel/3.1.0/plugin_charges.so +lib/openbabel/3.1.0/plugin_descriptors.so +lib/openbabel/3.1.0/plugin_fingerprints.so 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+lib/openbabel/3.1.0/unichemformat.so +lib/openbabel/3.1.0/vaspformat.so +lib/openbabel/3.1.0/viewmolformat.so +lib/openbabel/3.1.0/wlnformat.so +lib/openbabel/3.1.0/xedformat.so +lib/openbabel/3.1.0/xmlformat.so +lib/openbabel/3.1.0/xsfformat.so +lib/openbabel/3.1.0/xyzformat.so +lib/openbabel/3.1.0/yasaraformat.so +lib/openbabel/3.1.0/zindoformat.so lib/pkgconfig/openbabel-3.pc -man/man1/babel.1 man/man1/obabel.1 man/man1/obchiral.1 man/man1/obconformer.1 @@ -260,58 +306,58 @@ man/man1/obsym.1 man/man1/obtautomer.1 man/man1/obthermo.1 man/man1/roundtrip.1 -share/openbabel/${PKGVERSION}/MACCS.txt -share/openbabel/${PKGVERSION}/SMARTS_InteLigand.txt -share/openbabel/${PKGVERSION}/UFF.prm -share/openbabel/${PKGVERSION}/atomization-energies.txt -share/openbabel/${PKGVERSION}/atomtyp.txt -share/openbabel/${PKGVERSION}/babel_povray3.inc -share/openbabel/${PKGVERSION}/bondtyp.txt -share/openbabel/${PKGVERSION}/eem.txt -share/openbabel/${PKGVERSION}/eem2015ba.txt 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-share/openbabel/${PKGVERSION}/torsion.txt -share/openbabel/${PKGVERSION}/types.txt +share/openbabel/3.1.0/MACCS.txt +share/openbabel/3.1.0/SMARTS_InteLigand.txt +share/openbabel/3.1.0/UFF.prm +share/openbabel/3.1.0/atomization-energies.txt +share/openbabel/3.1.0/atomtyp.txt +share/openbabel/3.1.0/babel_povray3.inc +share/openbabel/3.1.0/bondtyp.txt +share/openbabel/3.1.0/eem.txt +share/openbabel/3.1.0/eem2015ba.txt +share/openbabel/3.1.0/eem2015bm.txt +share/openbabel/3.1.0/eem2015bn.txt +share/openbabel/3.1.0/eem2015ha.txt +share/openbabel/3.1.0/eem2015hm.txt +share/openbabel/3.1.0/eem2015hn.txt +share/openbabel/3.1.0/eqeqIonizations.txt +share/openbabel/3.1.0/gaff.dat +share/openbabel/3.1.0/gaff.prm +share/openbabel/3.1.0/ghemical.prm +share/openbabel/3.1.0/logp.txt +share/openbabel/3.1.0/mmff94.ff +share/openbabel/3.1.0/mmff94s.ff +share/openbabel/3.1.0/mmffang.par +share/openbabel/3.1.0/mmffbndk.par +share/openbabel/3.1.0/mmffbond.par +share/openbabel/3.1.0/mmffchg.par 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+share/openbabel/3.1.0/torlib.txt +share/openbabel/3.1.0/torsion.txt +share/openbabel/3.1.0/types.txt |