60c90e6e1a
It includes the new Standardized InChI identifier, fixes for many stereochemistry errors, significantly improved aromatic/Kekule bond assignment, and coordinate generation. Many more bugfixes and small improvements are included.
305 lines
10 KiB
Plaintext
305 lines
10 KiB
Plaintext
@comment $OpenBSD: PLIST,v 1.5 2009/07/13 09:40:03 ajacoutot Exp $
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%%SHARED%%
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@bin bin/babel
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@bin bin/obchiral
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@bin bin/obconformer
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@bin bin/obenergy
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@bin bin/obfit
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@bin bin/obgen
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@bin bin/obgrep
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@bin bin/obminimize
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@bin bin/obprobe
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@bin bin/obprop
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@bin bin/obrotamer
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@bin bin/obrotate
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@bin bin/roundtrip
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include/inchi102/
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include/inchi102/inchi_api.h
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include/openbabel-2.0/
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include/openbabel-2.0/openbabel/
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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/
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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.a
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lib/libopenbabel.la
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lib/openbabel/
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lib/openbabel/${V}/
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lib/openbabel/${V}/APIInterface.a
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lib/openbabel/${V}/APIInterface.la
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lib/openbabel/${V}/CSRformat.a
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lib/openbabel/${V}/CSRformat.la
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lib/openbabel/${V}/MCDLformat.a
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lib/openbabel/${V}/MCDLformat.la
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lib/openbabel/${V}/PQSformat.a
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lib/openbabel/${V}/PQSformat.la
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lib/openbabel/${V}/acrformat.a
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lib/openbabel/${V}/acrformat.la
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lib/openbabel/${V}/adfformat.a
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lib/openbabel/${V}/adfformat.la
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lib/openbabel/${V}/alchemyformat.a
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lib/openbabel/${V}/alchemyformat.la
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lib/openbabel/${V}/amberformat.a
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lib/openbabel/${V}/amberformat.la
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lib/openbabel/${V}/balstformat.a
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lib/openbabel/${V}/balstformat.la
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lib/openbabel/${V}/bgfformat.a
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lib/openbabel/${V}/bgfformat.la
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lib/openbabel/${V}/boxformat.a
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lib/openbabel/${V}/boxformat.la
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lib/openbabel/${V}/cacaoformat.a
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lib/openbabel/${V}/cacaoformat.la
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lib/openbabel/${V}/cacheformat.a
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lib/openbabel/${V}/cacheformat.la
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lib/openbabel/${V}/carformat.a
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lib/openbabel/${V}/carformat.la
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lib/openbabel/${V}/cccformat.a
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lib/openbabel/${V}/cccformat.la
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lib/openbabel/${V}/cdxmlformat.a
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lib/openbabel/${V}/cdxmlformat.la
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lib/openbabel/${V}/chem3dformat.a
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lib/openbabel/${V}/chem3dformat.la
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lib/openbabel/${V}/chemdrawcdxformat.a
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lib/openbabel/${V}/chemdrawcdxformat.la
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lib/openbabel/${V}/chemdrawctformat.a
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lib/openbabel/${V}/chemdrawctformat.la
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lib/openbabel/${V}/chemkinformat.a
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lib/openbabel/${V}/chemkinformat.la
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lib/openbabel/${V}/chemtoolformat.a
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lib/openbabel/${V}/chemtoolformat.la
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lib/openbabel/${V}/cifformat.a
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lib/openbabel/${V}/cifformat.la
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lib/openbabel/${V}/cmlformat.a
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lib/openbabel/${V}/cmlformat.la
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lib/openbabel/${V}/cmlreactformat.a
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lib/openbabel/${V}/cmlreactformat.la
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lib/openbabel/${V}/copyformat.a
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lib/openbabel/${V}/copyformat.la
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lib/openbabel/${V}/crkformat.a
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lib/openbabel/${V}/crkformat.la
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lib/openbabel/${V}/cssrformat.a
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lib/openbabel/${V}/cssrformat.la
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lib/openbabel/${V}/dmolformat.a
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lib/openbabel/${V}/dmolformat.la
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lib/openbabel/${V}/fastaformat.a
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lib/openbabel/${V}/fastaformat.la
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lib/openbabel/${V}/fastsearchformat.a
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lib/openbabel/${V}/fastsearchformat.la
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lib/openbabel/${V}/fchkformat.a
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lib/openbabel/${V}/fchkformat.la
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lib/openbabel/${V}/featformat.a
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lib/openbabel/${V}/featformat.la
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lib/openbabel/${V}/fhformat.a
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lib/openbabel/${V}/fhformat.la
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lib/openbabel/${V}/fingerprintformat.a
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lib/openbabel/${V}/fingerprintformat.la
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lib/openbabel/${V}/freefracformat.a
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lib/openbabel/${V}/freefracformat.la
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lib/openbabel/${V}/gamessformat.a
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lib/openbabel/${V}/gamessformat.la
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lib/openbabel/${V}/gamessukformat.a
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lib/openbabel/${V}/gamessukformat.la
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lib/openbabel/${V}/gausscubeformat.a
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lib/openbabel/${V}/gausscubeformat.la
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lib/openbabel/${V}/gaussformat.a
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lib/openbabel/${V}/gaussformat.la
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lib/openbabel/${V}/gausszmatformat.a
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lib/openbabel/${V}/gausszmatformat.la
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lib/openbabel/${V}/ghemicalformat.a
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lib/openbabel/${V}/ghemicalformat.la
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lib/openbabel/${V}/gromos96format.a
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lib/openbabel/${V}/gromos96format.la
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lib/openbabel/${V}/hinformat.a
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lib/openbabel/${V}/hinformat.la
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lib/openbabel/${V}/inchiformat.a
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lib/openbabel/${V}/inchiformat.la
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lib/openbabel/${V}/jaguarformat.a
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lib/openbabel/${V}/jaguarformat.la
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lib/openbabel/${V}/mdlformat.a
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lib/openbabel/${V}/mdlformat.la
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lib/openbabel/${V}/mmcifformat.a
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lib/openbabel/${V}/mmcifformat.la
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lib/openbabel/${V}/mmodformat.a
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lib/openbabel/${V}/mmodformat.la
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lib/openbabel/${V}/mol2format.a
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lib/openbabel/${V}/mol2format.la
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lib/openbabel/${V}/moldenformat.a
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lib/openbabel/${V}/moldenformat.la
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lib/openbabel/${V}/molproformat.a
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lib/openbabel/${V}/molproformat.la
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lib/openbabel/${V}/molreportformat.a
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lib/openbabel/${V}/molreportformat.la
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lib/openbabel/${V}/mopacformat.a
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lib/openbabel/${V}/mopacformat.la
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lib/openbabel/${V}/mpdformat.a
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lib/openbabel/${V}/mpdformat.la
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lib/openbabel/${V}/mpqcformat.a
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lib/openbabel/${V}/mpqcformat.la
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lib/openbabel/${V}/msiformat.a
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lib/openbabel/${V}/msiformat.la
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lib/openbabel/${V}/msmsformat.a
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lib/openbabel/${V}/msmsformat.la
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lib/openbabel/${V}/nwchemformat.a
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lib/openbabel/${V}/nwchemformat.la
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lib/openbabel/${V}/opendxformat.a
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lib/openbabel/${V}/opendxformat.la
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lib/openbabel/${V}/outformat.a
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lib/openbabel/${V}/outformat.la
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lib/openbabel/${V}/pcmodelformat.a
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lib/openbabel/${V}/pcmodelformat.la
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lib/openbabel/${V}/pdbformat.a
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lib/openbabel/${V}/pdbformat.la
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lib/openbabel/${V}/pngformat.a
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lib/openbabel/${V}/pngformat.la
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lib/openbabel/${V}/povrayformat.a
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lib/openbabel/${V}/povrayformat.la
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lib/openbabel/${V}/pqrformat.a
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lib/openbabel/${V}/pqrformat.la
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lib/openbabel/${V}/pubchem.a
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lib/openbabel/${V}/pubchem.la
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lib/openbabel/${V}/qchemformat.a
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lib/openbabel/${V}/qchemformat.la
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lib/openbabel/${V}/reportformat.a
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lib/openbabel/${V}/reportformat.la
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lib/openbabel/${V}/rsmiformat.a
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lib/openbabel/${V}/rsmiformat.la
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lib/openbabel/${V}/rxnformat.a
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lib/openbabel/${V}/rxnformat.la
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lib/openbabel/${V}/shelxformat.a
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lib/openbabel/${V}/shelxformat.la
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lib/openbabel/${V}/smilesformat.a
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lib/openbabel/${V}/smilesformat.la
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lib/openbabel/${V}/thermoformat.a
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lib/openbabel/${V}/thermoformat.la
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lib/openbabel/${V}/tinkerformat.a
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lib/openbabel/${V}/tinkerformat.la
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lib/openbabel/${V}/titleformat.a
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lib/openbabel/${V}/titleformat.la
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lib/openbabel/${V}/turbomoleformat.a
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lib/openbabel/${V}/turbomoleformat.la
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lib/openbabel/${V}/unichemformat.a
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lib/openbabel/${V}/unichemformat.la
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lib/openbabel/${V}/vaspformat.a
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lib/openbabel/${V}/vaspformat.la
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lib/openbabel/${V}/viewmolformat.a
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lib/openbabel/${V}/viewmolformat.la
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lib/openbabel/${V}/xedformat.a
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lib/openbabel/${V}/xedformat.la
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lib/openbabel/${V}/xmlformat.a
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lib/openbabel/${V}/xmlformat.la
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lib/openbabel/${V}/xtcformat.a
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lib/openbabel/${V}/xtcformat.la
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lib/openbabel/${V}/xyzformat.a
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lib/openbabel/${V}/xyzformat.la
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lib/openbabel/${V}/yasaraformat.a
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lib/openbabel/${V}/zindoformat.a
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lib/openbabel/${V}/zindoformat.la
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lib/pkgconfig/
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lib/pkgconfig/openbabel-2.0.pc
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@man man/man1/babel.1
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@man man/man1/obchiral.1
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@man man/man1/obconformer.1
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@man man/man1/obenergy.1
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@man man/man1/obfit.1
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@man man/man1/obgen.1
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@man man/man1/obgrep.1
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@man man/man1/obminimize.1
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@man man/man1/obprobe.1
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@man man/man1/obprop.1
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@man man/man1/obrotamer.1
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@man man/man1/obrotate.1
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@man man/man1/roundtrip.1
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share/openbabel/
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share/openbabel/${V}/
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share/openbabel/${V}/MACCS.txt
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share/openbabel/${V}/SMARTS_InteLigand.txt
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share/openbabel/${V}/UFF.prm
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share/openbabel/${V}/aromatic.txt
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share/openbabel/${V}/atomtyp.txt
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share/openbabel/${V}/bondtyp.txt
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share/openbabel/${V}/element.txt
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share/openbabel/${V}/fragments.txt
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share/openbabel/${V}/ghemical.prm
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share/openbabel/${V}/isotope-small.txt
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share/openbabel/${V}/isotope.txt
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share/openbabel/${V}/logp.txt
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share/openbabel/${V}/mmff94.ff
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share/openbabel/${V}/mmff94s.ff
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share/openbabel/${V}/mmffang.par
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share/openbabel/${V}/mmffbndk.par
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share/openbabel/${V}/mmffbond.par
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share/openbabel/${V}/mmffchg.par
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share/openbabel/${V}/mmffdef.par
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share/openbabel/${V}/mmffdfsb.par
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share/openbabel/${V}/mmffoop.par
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share/openbabel/${V}/mmffpbci.par
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share/openbabel/${V}/mmffprop.par
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share/openbabel/${V}/mmffs_oop.par
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share/openbabel/${V}/mmffs_tor.par
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share/openbabel/${V}/mmffstbn.par
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share/openbabel/${V}/mmfftor.par
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share/openbabel/${V}/mmffvdw.par
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share/openbabel/${V}/mr.txt
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share/openbabel/${V}/patterns.txt
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share/openbabel/${V}/phmodel.txt
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share/openbabel/${V}/plugindefines.txt
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share/openbabel/${V}/psa.txt
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share/openbabel/${V}/resdata.txt
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share/openbabel/${V}/ringtyp.txt
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share/openbabel/${V}/space-groups.txt
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share/openbabel/${V}/torlib.txt
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share/openbabel/${V}/types.txt
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