openbabel: a free translator among the many molecular formats
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fulvio ciriaco
Thomas Klausner
parent
2637e80ce0
commit
b7c01fd9c8
4 changed files with 241 additions and 0 deletions
0
openbabel/DESCR
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openbabel/DESCR
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19
openbabel/Makefile
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openbabel/Makefile
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# $NetBSD: Makefile,v 1.1 2009/08/02 17:57:30 fulviociriaco Exp $
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#
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DISTNAME= openbabel-2.2.2
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CATEGORIES= wip biology
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MASTER_SITES= ${MASTER_SITE_SOURCEFORGE:=openbabel/}
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MAINTAINER= oivulf@gmail.com
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HOMEPAGE= http://openbabel.sourceforge.net/
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COMMENT= a smart translator among chemical formats
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GNU_CONFIGURE= yes
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USE_LIBTOOL= yes
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USE_TOOLS+= pkg-config
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USE_LANGUAGES= c c++
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PKGCONFIG_OVERRIDE+= openbabel-2.0.pc.in
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.include "../../mk/bsd.pkg.mk"
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217
openbabel/PLIST
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openbabel/PLIST
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@comment $NetBSD: PLIST,v 1.1 2009/08/02 17:57:30 fulviociriaco Exp $
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bin/babel
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bin/obchiral
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bin/obconformer
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bin/obenergy
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bin/obfit
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bin/obgen
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bin/obgrep
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bin/obminimize
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bin/obprobe
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bin/obprop
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bin/obrotamer
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bin/obrotate
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bin/roundtrip
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emul/linux/etc/ld.so.cache
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emul/linux/usr/lib/libglide3.so.3
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include/inchi102/inchi_api.h
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include/openbabel-2.0/openbabel/alias.h
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include/openbabel-2.0/openbabel/atom.h
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include/openbabel-2.0/openbabel/atomclass.h
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include/openbabel-2.0/openbabel/babelconfig.h
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include/openbabel-2.0/openbabel/base.h
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include/openbabel-2.0/openbabel/bitvec.h
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include/openbabel-2.0/openbabel/bond.h
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include/openbabel-2.0/openbabel/bondtyper.h
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include/openbabel-2.0/openbabel/builder.h
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include/openbabel-2.0/openbabel/canon.h
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include/openbabel-2.0/openbabel/chains.h
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include/openbabel-2.0/openbabel/chemdrawcdx.h
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include/openbabel-2.0/openbabel/chiral.h
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include/openbabel-2.0/openbabel/data.h
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include/openbabel-2.0/openbabel/descriptor.h
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include/openbabel-2.0/openbabel/dlhandler.h
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include/openbabel-2.0/openbabel/fingerprint.h
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include/openbabel-2.0/openbabel/forcefield.h
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include/openbabel-2.0/openbabel/format.h
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include/openbabel-2.0/openbabel/generic.h
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include/openbabel-2.0/openbabel/grid.h
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include/openbabel-2.0/openbabel/griddata.h
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include/openbabel-2.0/openbabel/groupcontrib.h
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include/openbabel-2.0/openbabel/internalcoord.h
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include/openbabel-2.0/openbabel/kinetics.h
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include/openbabel-2.0/openbabel/lineend.h
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include/openbabel-2.0/openbabel/locale.h
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include/openbabel-2.0/openbabel/math/matrix3x3.h
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include/openbabel-2.0/openbabel/math/spacegroup.h
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include/openbabel-2.0/openbabel/math/transform3d.h
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include/openbabel-2.0/openbabel/math/vector3.h
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include/openbabel-2.0/openbabel/matrix.h
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include/openbabel-2.0/openbabel/mol.h
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include/openbabel-2.0/openbabel/molchrg.h
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include/openbabel-2.0/openbabel/obconversion.h
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include/openbabel-2.0/openbabel/oberror.h
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include/openbabel-2.0/openbabel/obiter.h
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include/openbabel-2.0/openbabel/obmolecformat.h
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include/openbabel-2.0/openbabel/obutil.h
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include/openbabel-2.0/openbabel/op.h
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include/openbabel-2.0/openbabel/optransform.h
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include/openbabel-2.0/openbabel/parsmart.h
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include/openbabel-2.0/openbabel/patty.h
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include/openbabel-2.0/openbabel/phmodel.h
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include/openbabel-2.0/openbabel/plugin.h
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include/openbabel-2.0/openbabel/pointgroup.h
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include/openbabel-2.0/openbabel/rand.h
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include/openbabel-2.0/openbabel/reaction.h
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include/openbabel-2.0/openbabel/residue.h
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include/openbabel-2.0/openbabel/ring.h
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include/openbabel-2.0/openbabel/rotamer.h
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include/openbabel-2.0/openbabel/rotor.h
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include/openbabel-2.0/openbabel/tokenst.h
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include/openbabel-2.0/openbabel/typer.h
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include/openbabel-2.0/openbabel/xml.h
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lib/libopenbabel.la
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lib/openbabel/${PKGVERSION}/APIInterface.la
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lib/openbabel/${PKGVERSION}/CSRformat.la
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lib/openbabel/${PKGVERSION}/MCDLformat.la
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lib/openbabel/${PKGVERSION}/PQSformat.la
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lib/openbabel/${PKGVERSION}/acrformat.la
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lib/openbabel/${PKGVERSION}/adfformat.la
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lib/openbabel/${PKGVERSION}/alchemyformat.la
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lib/openbabel/${PKGVERSION}/amberformat.la
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lib/openbabel/${PKGVERSION}/balstformat.la
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lib/openbabel/${PKGVERSION}/bgfformat.la
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lib/openbabel/${PKGVERSION}/boxformat.la
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lib/openbabel/${PKGVERSION}/cacaoformat.la
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lib/openbabel/${PKGVERSION}/cacheformat.la
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lib/openbabel/${PKGVERSION}/carformat.la
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lib/openbabel/${PKGVERSION}/cccformat.la
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lib/openbabel/${PKGVERSION}/chem3dformat.la
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lib/openbabel/${PKGVERSION}/chemdrawctformat.la
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lib/openbabel/${PKGVERSION}/chemtoolformat.la
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lib/openbabel/${PKGVERSION}/cifformat.la
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lib/openbabel/${PKGVERSION}/copyformat.la
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lib/openbabel/${PKGVERSION}/crkformat.la
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lib/openbabel/${PKGVERSION}/cssrformat.la
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lib/openbabel/${PKGVERSION}/dmolformat.la
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lib/openbabel/${PKGVERSION}/fastaformat.la
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lib/openbabel/${PKGVERSION}/fastsearchformat.la
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lib/openbabel/${PKGVERSION}/fchkformat.la
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lib/openbabel/${PKGVERSION}/featformat.la
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lib/openbabel/${PKGVERSION}/fhformat.la
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lib/openbabel/${PKGVERSION}/fingerprintformat.la
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lib/openbabel/${PKGVERSION}/freefracformat.la
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lib/openbabel/${PKGVERSION}/gamessformat.la
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lib/openbabel/${PKGVERSION}/gamessukformat.la
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lib/openbabel/${PKGVERSION}/gausscubeformat.la
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lib/openbabel/${PKGVERSION}/gaussformat.la
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lib/openbabel/${PKGVERSION}/gausszmatformat.la
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lib/openbabel/${PKGVERSION}/ghemicalformat.la
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lib/openbabel/${PKGVERSION}/gromos96format.la
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lib/openbabel/${PKGVERSION}/hinformat.la
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lib/openbabel/${PKGVERSION}/inchiformat.la
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lib/openbabel/${PKGVERSION}/jaguarformat.la
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lib/openbabel/${PKGVERSION}/mdlformat.la
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lib/openbabel/${PKGVERSION}/mmcifformat.la
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lib/openbabel/${PKGVERSION}/mmodformat.la
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lib/openbabel/${PKGVERSION}/mol2format.la
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lib/openbabel/${PKGVERSION}/moldenformat.la
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lib/openbabel/${PKGVERSION}/molproformat.la
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lib/openbabel/${PKGVERSION}/molreportformat.la
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lib/openbabel/${PKGVERSION}/mopacformat.la
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lib/openbabel/${PKGVERSION}/mpdformat.la
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lib/openbabel/${PKGVERSION}/mpqcformat.la
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lib/openbabel/${PKGVERSION}/msiformat.la
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lib/openbabel/${PKGVERSION}/msmsformat.la
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lib/openbabel/${PKGVERSION}/nwchemformat.la
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lib/openbabel/${PKGVERSION}/opendxformat.la
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lib/openbabel/${PKGVERSION}/outformat.la
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lib/openbabel/${PKGVERSION}/pcmodelformat.la
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lib/openbabel/${PKGVERSION}/pdbformat.la
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lib/openbabel/${PKGVERSION}/pngformat.la
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lib/openbabel/${PKGVERSION}/povrayformat.la
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lib/openbabel/${PKGVERSION}/pqrformat.la
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lib/openbabel/${PKGVERSION}/qchemformat.la
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lib/openbabel/${PKGVERSION}/reportformat.la
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lib/openbabel/${PKGVERSION}/shelxformat.la
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lib/openbabel/${PKGVERSION}/smilesformat.la
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lib/openbabel/${PKGVERSION}/thermoformat.la
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lib/openbabel/${PKGVERSION}/tinkerformat.la
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lib/openbabel/${PKGVERSION}/titleformat.la
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lib/openbabel/${PKGVERSION}/turbomoleformat.la
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lib/openbabel/${PKGVERSION}/unichemformat.la
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lib/openbabel/${PKGVERSION}/vaspformat.la
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lib/openbabel/${PKGVERSION}/viewmolformat.la
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lib/openbabel/${PKGVERSION}/xedformat.la
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lib/openbabel/${PKGVERSION}/xtcformat.la
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lib/openbabel/${PKGVERSION}/xyzformat.la
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lib/openbabel/${PKGVERSION}/yasaraformat.la
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lib/openbabel/${PKGVERSION}/zindoformat.la
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lib/pkgconfig/openbabel-2.0.pc
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man/man1/babel.1
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man/man1/obchiral.1
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man/man1/obconformer.1
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man/man1/obenergy.1
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man/man1/obfit.1
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man/man1/obgen.1
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man/man1/obgrep.1
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man/man1/obminimize.1
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man/man1/obprobe.1
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man/man1/obprop.1
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man/man1/obrotamer.1
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man/man1/obrotate.1
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man/man1/roundtrip.1
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share/openbabel/${PKGVERSION}/MACCS.txt
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share/openbabel/${PKGVERSION}/SMARTS_InteLigand.txt
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share/openbabel/${PKGVERSION}/UFF.prm
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share/openbabel/${PKGVERSION}/aromatic.txt
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share/openbabel/${PKGVERSION}/atomtyp.txt
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share/openbabel/${PKGVERSION}/bondtyp.txt
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share/openbabel/${PKGVERSION}/element.txt
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share/openbabel/${PKGVERSION}/fragments.txt
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share/openbabel/${PKGVERSION}/ghemical.prm
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share/openbabel/${PKGVERSION}/isotope-small.txt
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share/openbabel/${PKGVERSION}/isotope.txt
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share/openbabel/${PKGVERSION}/logp.txt
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share/openbabel/${PKGVERSION}/mmff94.ff
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share/openbabel/${PKGVERSION}/mmff94s.ff
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share/openbabel/${PKGVERSION}/mmffang.par
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share/openbabel/${PKGVERSION}/mmffbndk.par
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share/openbabel/${PKGVERSION}/mmffbond.par
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share/openbabel/${PKGVERSION}/mmffchg.par
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share/openbabel/${PKGVERSION}/mmffdef.par
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share/openbabel/${PKGVERSION}/mmffdfsb.par
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share/openbabel/${PKGVERSION}/mmffoop.par
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share/openbabel/${PKGVERSION}/mmffpbci.par
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share/openbabel/${PKGVERSION}/mmffprop.par
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share/openbabel/${PKGVERSION}/mmffs_oop.par
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share/openbabel/${PKGVERSION}/mmffs_tor.par
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share/openbabel/${PKGVERSION}/mmffstbn.par
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share/openbabel/${PKGVERSION}/mmfftor.par
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share/openbabel/${PKGVERSION}/mmffvdw.par
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share/openbabel/${PKGVERSION}/mr.txt
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share/openbabel/${PKGVERSION}/patterns.txt
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share/openbabel/${PKGVERSION}/phmodel.txt
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share/openbabel/${PKGVERSION}/plugindefines.txt
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share/openbabel/${PKGVERSION}/psa.txt
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share/openbabel/${PKGVERSION}/resdata.txt
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share/openbabel/${PKGVERSION}/ringtyp.txt
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share/openbabel/${PKGVERSION}/space-groups.txt
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share/openbabel/${PKGVERSION}/torlib.txt
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share/openbabel/${PKGVERSION}/types.txt
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@dirrm share/openbabel/${PKGVERSION}
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@dirrm share/openbabel
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@dirrm lib/openbabel/${PKGVERSION}
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@dirrm lib/openbabel
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@dirrm include/openbabel-2.0/openbabel/math
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@dirrm include/openbabel-2.0/openbabel
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@dirrm include/openbabel-2.0
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@dirrm include/inchi102
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@dirrm emul/linux/usr/lib/GL
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@dirrm emul/linux/usr/lib
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@dirrm emul/linux/usr/include/GL
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@dirrm emul/linux/usr/include
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@dirrm emul/linux/usr/X11R6/lib/modules/dri
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@dirrm emul/linux/usr/X11R6/lib/modules
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@dirrm emul/linux/usr/X11R6/lib
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@dirrm emul/linux/etc
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5
openbabel/distinfo
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5
openbabel/distinfo
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@ -0,0 +1,5 @@
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$NetBSD: distinfo,v 1.1 2009/08/02 17:57:30 fulviociriaco Exp $
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SHA1 (openbabel-2.2.2.tar.gz) = eff94c92f1f0e7e834874e2964056f538fa1574a
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RMD160 (openbabel-2.2.2.tar.gz) = 95c5da693c0d34e85c0f97f23318251b89a47ddb
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Size (openbabel-2.2.2.tar.gz) = 6621343 bytes
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