libopenbabel-dev - i386

Documentation

Binaries

xsfformat.so

compile units

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xsfformat.cpp

includes

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xsfformat.cpp

libraries


manual

qchemformat.so

compile units

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qchemformat.cpp

includes

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qchemformat.cpp

libraries


manual

babel

compile units

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babel.cpp

includes

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babel.cpp

libraries


manual

test_uniqueid

compile units

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uniqueidtest.cpp

includes

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uniqueidtest.cpp

libraries


manual

MNAformat.so

compile units

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MNAformat.cpp

includes

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MNAformat.cpp

libraries


manual

gulpformat.so

compile units

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gulpformat.cpp

includes

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gulpformat.cpp

libraries


manual

test_inchiwrite

compile units

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inchiwrite.cpp
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getinchi.cpp

includes

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inchiwrite.cpp

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getinchi.cpp

libraries


manual

test_squareplanar

compile units

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squareplanartest.cpp

includes

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squareplanartest.cpp

libraries


manual

test_smilesmatch

compile units

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smilesmatch.cpp

includes

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smilesmatch.cpp

libraries


manual

CMakeDetermineCompilerABI_C.bin

compile units

CMakeCCompilerABI.c

includes

CMakeCCompilerABI.c

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manual

cacaoformat.so

compile units

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cacaoformat.cpp

includes

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cacaoformat.cpp

libraries


manual

chem3dformat.so

compile units

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chem3dformat.cpp

includes

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chem3dformat.cpp

libraries


manual

chemdrawct.so

compile units

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chemdrawct.cpp

includes

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chemdrawct.cpp

libraries


manual

test_spectrophore

compile units

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spectrophoretest.cpp

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spectrophoretest.cpp

libraries


manual

cccformat.so

compile units

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cccformat.cpp

includes

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cccformat.cpp

libraries


manual

pwscfformat.so

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pwscfformat.cpp

includes

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pwscfformat.cpp

libraries


manual

APIInterface.so

compile units

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APIInterface.cpp

includes

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APIInterface.cpp

libraries


manual

test_rotor

compile units

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rotortest.cpp

includes

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rotortest.cpp

libraries


manual

gaussformat.so

compile units

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gaussformat.cpp

includes

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gaussformat.cpp

libraries


manual

lmpdatformat.so

compile units

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lmpdatformat.cpp

includes

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lmpdatformat.cpp

libraries


manual

test_formula

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formula.cpp

includes

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formula.cpp

libraries


manual

test_tetrahedral

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tetrahedraltest.cpp

includes

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tetrahedraltest.cpp

libraries


manual

crkformat.so

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crkformat.cpp

includes

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crkformat.cpp

libraries


manual

test_lssr

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lssrtest.cpp

includes

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lssrtest.cpp

libraries


manual

test_tetraplanar

compile units

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tetraplanartest.cpp

includes

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tetraplanartest.cpp

libraries


manual

test_ffmmff94

compile units

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ffmmff94.cpp

includes

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ffmmff94.cpp

libraries


manual

plugin_descriptors.so

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cansmidescriptor.cpp
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cmpdfilter.cpp
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groupcontrib.cpp
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filters.cpp
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inchidescriptor.cpp
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smartsdescriptors.cpp

includes

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cansmidescriptor.cpp

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cmpdfilter.cpp

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groupcontrib.cpp

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filters.cpp

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inchidescriptor.cpp

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smartsdescriptors.cpp

libraries


manual

groformat.so

compile units

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groformat.cpp

includes

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groformat.cpp

libraries


manual

obprop

compile units

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obprop.cpp

includes

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obprop.cpp

libraries


manual

test_shuffle

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shuffletest.cpp

includes

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shuffletest.cpp

libraries


manual

test_residue

compile units

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residue.cpp

includes

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residue.cpp

libraries


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gamessformat.so

compile units

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gamessformat.cpp

includes

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gamessformat.cpp

libraries


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test_aromatest

compile units

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aromatest.cpp

includes

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aromatest.cpp

libraries


manual

mol2format.so

compile units

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mol2format.cpp

includes

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mol2format.cpp

libraries


manual

xedformat.so

compile units

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xedformat.cpp

includes

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xedformat.cpp

libraries


manual

rxnformat.so

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rxnformat.cpp

includes

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rxnformat.cpp

libraries


manual

castepformat.so

compile units

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castepformat.cpp

includes

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castepformat.cpp

libraries


manual

test_phmodel

compile units

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phmodel.cpp

includes

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phmodel.cpp

libraries


manual

CMakeDetermineCompilerABI_CXX.bin

compile units

CMakeCXXCompilerABI.cpp

includes

CMakeCXXCompilerABI.cpp

libraries


manual

fastaformat.so

compile units

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fastaformat.cpp

includes

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fastaformat.cpp

libraries


manual

test_unitcell

compile units

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unitcell.cpp

includes

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unitcell.cpp

libraries


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test_ringtest

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ringtest.cpp

includes

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ringtest.cpp

libraries


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fingerprintformat.so

compile units

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fingerprintformat.cpp

includes

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fingerprintformat.cpp

libraries


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test_graphsym

compile units

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graphsymtest.cpp

includes

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graphsymtest.cpp

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obgrep

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obgrep.cpp

includes

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obgrep.cpp

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manual

boxformat.so

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boxformat.cpp

includes

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boxformat.cpp

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pqrformat.so

compile units

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pqrformat.cpp

includes

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pqrformat.cpp

libraries


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zindoformat.so

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zindoformat.cpp

includes

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zindoformat.cpp

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mpqcformat.so

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mpqcformat.cpp

includes

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mpqcformat.cpp

libraries


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obabel

compile units

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obabel.cpp

includes

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obabel.cpp

libraries


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nulformat.so

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nulformat.cpp

includes

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nulformat.cpp

libraries


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obrotate

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obrotate.cpp

includes

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obrotate.cpp

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feature_tests.bin

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feature_tests.cxx

includes

feature_tests.cxx

libraries


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test_cistrans

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cistranstest.cpp

includes

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cistranstest.cpp

libraries


manual

gausscubeformat.so

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gausscubeformat.cpp

includes

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gausscubeformat.cpp

libraries


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xyzformat.so

compile units

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xyzformat.cpp

includes

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xyzformat.cpp

libraries


manual

chemkinformat.so

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chemkinformat.cpp

includes

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chemkinformat.cpp

libraries


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msiformat.so

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msiformat.cpp

includes

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msiformat.cpp

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hinformat.so

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hinformat.cpp

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hinformat.cpp

libraries


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pdbqtformat.so

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pdbqtformat.cpp

includes

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pdbqtformat.cpp

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test_smartsparse

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smartsparse.cpp

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smartsparse.cpp

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fpsformat.so

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fpsformat.cpp

includes

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fpsformat.cpp

libraries


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dlpolyformat.so

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dlpolyformat.cpp

includes

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dlpolyformat.cpp

libraries


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freefracformat.so

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freefracformat.cpp

includes

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freefracformat.cpp

libraries


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adfformat.so

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adfformat.cpp

includes

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adfformat.cpp

libraries


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titleformat.so

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titleformat.cpp

includes

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titleformat.cpp

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test_datatest

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datatest.cpp

includes

datatest.cpp

libraries


manual

test_automorphism

compile units

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automorphismtest.cpp

includes

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automorphismtest.cpp

libraries


manual

CLOCK_T.bin

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CLOCK_T.c

includes

CLOCK_T.c

libraries


manual

MCDLformat.so

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MCDLformat.cpp

includes

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MCDLformat.cpp

libraries


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cssrformat.so

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cssrformat.cpp

includes

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cssrformat.cpp

libraries


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jaguarformat.so

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jaguarformat.cpp

includes

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jaguarformat.cpp

libraries


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ghemicalformat.so

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ghemicalformat.cpp

includes

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ghemicalformat.cpp

libraries


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mpdformat.so

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mpdformat.cpp

includes

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mpdformat.cpp

libraries


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roundtrip

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roundtrip.cpp

includes

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roundtrip.cpp

libraries


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posformat.so

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posformat.cpp

includes

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posformat.cpp

libraries


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asciiformat.so

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asciiformat.cpp
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asciipainter.cpp

includes

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asciiformat.cpp

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asciipainter.cpp

libraries


manual

viewmolformat.so

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viewmolformat.cpp

includes

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viewmolformat.cpp

libraries


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mmcifformat.so

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mmcifformat.cpp

includes

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mmcifformat.cpp

libraries


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acrformat.so

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acrformat.cpp

includes

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acrformat.cpp

libraries


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obrotamer

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obrotamer.cpp

includes

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obrotamer.cpp

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bgfformat.so

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bgfformat.cpp

includes

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bgfformat.cpp

libraries


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copyformat.so

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copyformat.cpp

includes

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copyformat.cpp

libraries


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cacheformat.so

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cacheformat.cpp

includes

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cacheformat.cpp

libraries


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test_logp_psa

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logp_psa.cpp

includes

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logp_psa.cpp

libraries


manual

nwchemformat.so

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nwchemformat.cpp

includes

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nwchemformat.cpp

libraries


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alchemyformat.so

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alchemyformat.cpp

includes

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alchemyformat.cpp

libraries


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reportformat.so

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reportformat.cpp

includes

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reportformat.cpp

libraries


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cifformat.so

compile units

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cifformat.cpp

includes

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cifformat.cpp

libraries


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ompver_C.bin

compile units

OpenMPCheckVersion.c

includes

OpenMPCheckVersion.c

libraries


manual

unichemformat.so

compile units

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unichemformat.cpp

includes

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unichemformat.cpp

libraries


manual

test_ffghemical

compile units

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ffghemical.cpp

includes

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ffghemical.cpp

libraries


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test_ffgaff

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ffgaff.cpp

includes

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ffgaff.cpp

libraries


manual

inchiformat.so

compile units

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inchiformat.cpp
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getinchi.cpp
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unique.cpp
ikey_dll.c
inchi_dll.c
runichi.c
sha2.c
strutil.c
util.c
ichi_bns.c
ichi_io.c
ichican2.c
ichicano.c
ichicans.c
ichiisot.c
unassigned
ichilnct.c
ichimak2.c
ichimake.c
ichimap1.c
ichimap2.c
ichimap4.c
ichinorm.c
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ichiprt1.c
ichiprt2.c
ichiprt3.c
ichiread.c
ichirvr7.c
ichisort.c
ichister.c
ichitaut.c
ikey_base26.c
ichiqueu.c
ichiring.c
ichirvr4.c
ichirvr5.c
ichirvr6.c
ichirvr1.c
ichirvr2.c
ichirvr3.c

includes

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inchiformat.cpp

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getinchi.cpp

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unique.cpp

ikey_dll.c

inchi_dll.c

runichi.c

sha2.c

strutil.c

util.c

ichi_bns.c

ichi_io.c

ichican2.c

ichicano.c

ichicans.c

ichiisot.c

unassigned

ichilnct.c

ichimak2.c

ichimake.c

ichimap1.c

ichimap2.c

ichimap4.c

ichinorm.c

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ichiprt1.c

ichiprt2.c

ichiprt3.c

ichiread.c

ichirvr7.c

ichisort.c

ichister.c

ichitaut.c

ikey_base26.c

ichiqueu.c

ichiring.c

ichirvr4.c

ichirvr5.c

ichirvr6.c

ichirvr1.c

ichirvr2.c

ichirvr3.c

libraries


manual

test_canonstable

compile units

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canonstabletest.cpp

includes

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canonstabletest.cpp

libraries


manual

balstformat.so

compile units

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balstformat.cpp

includes

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balstformat.cpp

libraries


manual

chemdrawcdx.so

compile units

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chemdrawcdx.cpp

includes

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chemdrawcdx.cpp

libraries


manual

xtcformat.so

compile units

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xtcformat.cpp

includes

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xtcformat.cpp

libraries


manual

test_smiles

compile units

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smilestest.cpp

includes

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smilestest.cpp

libraries


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obenergy

compile units

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obenergy.cpp

includes

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obenergy.cpp

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test_formalcharge

compile units

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formalcharge.cpp

includes

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formalcharge.cpp

libraries


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rsmiformat.so

compile units

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rsmiformat.cpp

includes

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rsmiformat.cpp

libraries


manual

test_charge-mmff94

compile units

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charge-mmff94.cpp

includes

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charge-mmff94.cpp

libraries


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test_smartstest

compile units

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smartstest.cpp

includes

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smartstest.cpp

libraries


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vaspformat.so

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vaspformat.cpp

includes

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vaspformat.cpp

libraries


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turbomoleformat.so

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turbomoleformat.cpp

includes

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turbomoleformat.cpp

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mopacformat.so

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mopacformat.cpp

includes

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mopacformat.cpp

libraries


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featformat.so

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featformat.cpp

includes

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featformat.cpp

libraries


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povrayformat.so

compile units

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povrayformat.cpp

includes

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povrayformat.cpp

libraries


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test_cansmi

compile units

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cansmi.cpp

includes

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cansmi.cpp

libraries


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gausszmatformat.so

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gausszmatformat.cpp

includes

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gausszmatformat.cpp

libraries


manual

test_stereoperception

compile units

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stereoperceptiontest.cpp

includes

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stereoperceptiontest.cpp

libraries


manual

obchiral

compile units

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obchiral.cpp

includes

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obchiral.cpp

libraries


manual

plugin_forcefields.so

compile units

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forcefieldgaff.cpp
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forcefieldghemical.cpp
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forcefieldmmff94.cpp
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forcefielduff.cpp

includes

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forcefieldgaff.cpp

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forcefieldghemical.cpp

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forcefieldmmff94.cpp

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forcefielduff.cpp

libraries


manual

obprobe

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obprobe.cpp

includes

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obprobe.cpp

libraries


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carformat.so

compile units

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carformat.cpp

includes

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carformat.cpp

libraries


manual

test_conversion

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conversion.cpp

includes

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conversion.cpp

libraries


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mmodformat.so

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mmodformat.cpp

includes

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mmodformat.cpp

libraries


manual

test_bond

compile units

bond.cpp

includes

bond.cpp

libraries


manual

a.out

compile units

CMakeCCompilerId.c
Gimple

GKD

OBJ

includes

CMakeCCompilerId.c

libraries


manual

CSRformat.so

compile units

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CSRformat.cpp

includes

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CSRformat.cpp

libraries


manual

abinitformat.so

compile units

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abinitformat.cpp

includes

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abinitformat.cpp

libraries


manual

plugin_fingerprints.so

compile units

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finger2.cpp
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finger3.cpp

includes

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finger2.cpp

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finger3.cpp

libraries


manual

ompver_CXX.bin

compile units

OpenMPCheckVersion.cpp

includes

OpenMPCheckVersion.cpp

libraries


manual

textformat.so

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textformat.cpp

includes

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textformat.cpp

libraries


manual

PQSformat.so

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PQSformat.cpp

includes

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PQSformat.cpp

libraries


manual

obgen

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obgen.cpp

includes

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obgen.cpp

libraries


manual

gamessukformat.so

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gamessukformat.cpp

includes

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gamessukformat.cpp

libraries


manual

pdbformat.so

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pdbformat.cpp

includes

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pdbformat.cpp

libraries


manual

fhformat.so

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fhformat.cpp

includes

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fhformat.cpp

libraries


manual

test_invalidsmiles

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invalidsmiles.cpp

includes

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invalidsmiles.cpp

libraries


manual

pcmodelformat.so

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pcmodelformat.cpp

includes

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pcmodelformat.cpp

libraries


manual

dmolformat.so

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dmolformat.cpp

includes

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dmolformat.cpp

libraries


manual

yasaraformat.so

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yasaraformat.cpp

includes

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yasaraformat.cpp

libraries


manual

shelxformat.so

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shelxformat.cpp

includes

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shelxformat.cpp

libraries


manual

msmsformat.so

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msmsformat.cpp

includes

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msmsformat.cpp

libraries


manual

mdlformat.so

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mdlformat.cpp

includes

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mdlformat.cpp

libraries


manual

outformat.so

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outformat.cpp

includes

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outformat.cpp

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chemtoolformat.so

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chemtoolformat.cpp

includes

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chemtoolformat.cpp

libraries


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test_invalidsmarts

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invalidsmarts.cpp

includes

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invalidsmarts.cpp

libraries


manual

plugin_ops.so

compile units

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addfilename.cpp
unassigned
addinindex.cpp
unassigned
addpolarh.cpp
unassigned
canonical.cpp
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gen2D.cpp
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fillUC.cpp
unassigned
forcefield.cpp
unassigned
gen3d.cpp
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largest.cpp
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loader.cpp
unassigned
optransform.cpp
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partialcharges.cpp
unassigned
readconformers.cpp
unassigned
sort.cpp
unassigned
opisomorph.cpp
unassigned
ophighlight.cpp
unassigned
xout.cpp

includes

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addfilename.cpp

unassigned

addinindex.cpp

unassigned

addpolarh.cpp

unassigned

canonical.cpp

unassigned

gen2D.cpp

unassigned

fillUC.cpp

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forcefield.cpp

unassigned

gen3d.cpp

unassigned

largest.cpp

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loader.cpp

unassigned

optransform.cpp

unassigned

partialcharges.cpp

unassigned

readconformers.cpp

unassigned

sort.cpp

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opisomorph.cpp

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ophighlight.cpp

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xout.cpp

libraries


manual

test_math

compile units

math.cpp

includes

math.cpp

libraries


manual

obfit

compile units

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obfit.cpp

includes

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obfit.cpp

libraries


manual

molproformat.so

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molproformat.cpp

includes

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molproformat.cpp

libraries


manual

fastsearchformat.so

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fastsearchformat.cpp

includes

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fastsearchformat.cpp

libraries


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test_atom

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atom.cpp

includes

atom.cpp

libraries


manual

obconformer

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obconformer.cpp

includes

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obconformer.cpp

libraries


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test_canonconsistent

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canonconsistenttest.cpp

includes

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canonconsistenttest.cpp

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amberformat.so

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amberformat.cpp

includes

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amberformat.cpp

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fhiaimsformat.so

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fhiaimsformat.cpp

includes

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fhiaimsformat.cpp

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test_builder

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buildertest.cpp

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buildertest.cpp

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obminimize

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obminimize.cpp

includes

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obminimize.cpp

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manual

thermoformat.so

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thermoformat.cpp

includes

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thermoformat.cpp

libraries


manual

test_mol

compile units

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mol.cpp

includes

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mol.cpp

libraries


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test_charge-gasteiger

compile units

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charge-gasteiger.cpp

includes

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charge-gasteiger.cpp

libraries


manual

fchkformat.so

compile units

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fchkformat.cpp

includes

unassigned

fchkformat.cpp

libraries


manual

tinkerformat.so

compile units

unassigned
tinkerformat.cpp

includes

unassigned

tinkerformat.cpp

libraries


manual

moldenformat.so

compile units

unassigned
moldenformat.cpp

includes

unassigned

moldenformat.cpp

libraries


manual

test_stereo

compile units

unassigned
stereotest.cpp

includes

unassigned

stereotest.cpp

libraries


manual

test_ffuff

compile units

unassigned
ffuff.cpp

includes

unassigned

ffuff.cpp

libraries


manual

obspectrophore

compile units

unassigned
obspectrophore.cpp

includes

unassigned

obspectrophore.cpp

libraries


manual

molreport.so

compile units

unassigned
molreport.cpp

includes

unassigned

molreport.cpp

libraries


manual

smilesformat.so

compile units

unassigned
smilesformat.cpp

includes

unassigned

smilesformat.cpp

libraries


manual

test_isomorphism

compile units

unassigned
isomorphismtest.cpp

includes

unassigned

isomorphismtest.cpp

libraries


manual

plugin_charges.so

compile units

unassigned
eem.cpp
unassigned
gasteiger.cpp
unassigned
none.cpp
unassigned
mmff94.cpp

includes

unassigned

eem.cpp

unassigned

gasteiger.cpp

unassigned

none.cpp

unassigned

mmff94.cpp

libraries


manual

opendxformat.so

compile units

unassigned
opendxformat.cpp

includes

unassigned

opendxformat.cpp

libraries


manual

crystal09format.so

compile units

unassigned
crystal09format.cpp

includes

unassigned

crystal09format.cpp

libraries


manual

acesformat.so

compile units

unassigned
acesformat.cpp

includes

unassigned

acesformat.cpp

libraries


manual

test_internalcoord

compile units

internalcoord.cpp

includes

internalcoord.cpp

libraries


manual

test_format

compile units

format.cpp

includes

format.cpp

libraries


manual

test_iterators

compile units

unassigned
iterators.cpp

includes

unassigned

iterators.cpp

libraries


manual

svgformat.so

compile units

unassigned
svgformat.cpp

includes

unassigned

svgformat.cpp

libraries


manual

libopenbabel.so.4.0.2

compile units

unassigned
alias.cpp
unassigned
atom.cpp
unassigned
base.cpp
unassigned
bitvec.cpp
unassigned
bond.cpp
unassigned
bondtyper.cpp
unassigned
builder.cpp
canon.cpp
unassigned
chains.cpp
unassigned
chargemodel.cpp
unassigned
chiral.cpp
unassigned
data.cpp
unassigned
descriptor.cpp
unassigned
fingerprint.cpp
unassigned
forcefield.cpp
unassigned
format.cpp
unassigned
generic.cpp
unassigned
graphsym.cpp
unassigned
grid.cpp
unassigned
griddata.cpp
unassigned
isomorphism.cpp
unassigned
kekulize.cpp
locale.cpp
matrix.cpp
unassigned
mcdlutil.cpp
unassigned
molchrg.cpp
unassigned
mol.cpp
unassigned
obconversion.cpp
unassigned
oberror.cpp
obiter.cpp
unassigned
obutil.cpp
op.cpp
unassigned
parsmart.cpp
unassigned
patty.cpp
unassigned
phmodel.cpp
unassigned
plugin.cpp
pointgroup.cpp
unassigned
query.cpp
rand.cpp
unassigned
residue.cpp
unassigned
ring.cpp
unassigned
rotamer.cpp
unassigned
rotor.cpp
unassigned
spectrophore.cpp
unassigned
tokenst.cpp
unassigned
transform.cpp
unassigned
typer.cpp
unassigned
obmolecformat.cpp
unassigned
dlhandler_unix.cpp
unassigned
depict.cpp
svgpainter.cpp
unassigned
matrix3x3.cpp
unassigned
spacegroup.cpp
unassigned
transform3d.cpp
unassigned
vector3.cpp
stereo.cpp
unassigned
tetranonplanar.cpp
unassigned
tetraplanar.cpp
unassigned
squareplanar.cpp
unassigned
cistrans.cpp
unassigned
tetrahedral.cpp
unassigned
perception.cpp
unassigned
facade.cpp

includes

unassigned

alias.cpp

unassigned

atom.cpp

unassigned

base.cpp

unassigned

bitvec.cpp

unassigned

bond.cpp

unassigned

bondtyper.cpp

unassigned

builder.cpp

canon.cpp

unassigned

chains.cpp

unassigned

chargemodel.cpp

unassigned

chiral.cpp

unassigned

data.cpp

unassigned

descriptor.cpp

unassigned

fingerprint.cpp

unassigned

forcefield.cpp

unassigned

format.cpp

unassigned

generic.cpp

unassigned

graphsym.cpp

unassigned

grid.cpp

unassigned

griddata.cpp

unassigned

isomorphism.cpp

unassigned

kekulize.cpp

locale.cpp

matrix.cpp

unassigned

mcdlutil.cpp

unassigned

molchrg.cpp

unassigned

mol.cpp

unassigned

obconversion.cpp

unassigned

oberror.cpp

obiter.cpp

unassigned

obutil.cpp

op.cpp

unassigned

parsmart.cpp

unassigned

patty.cpp

unassigned

phmodel.cpp

unassigned

plugin.cpp

pointgroup.cpp

unassigned

query.cpp

rand.cpp

unassigned

residue.cpp

unassigned

ring.cpp

unassigned

rotamer.cpp

unassigned

rotor.cpp

unassigned

spectrophore.cpp

unassigned

tokenst.cpp

unassigned

transform.cpp

unassigned

typer.cpp

unassigned

obmolecformat.cpp

unassigned

dlhandler_unix.cpp

unassigned

depict.cpp

svgpainter.cpp

unassigned

matrix3x3.cpp

unassigned

spacegroup.cpp

unassigned

transform3d.cpp

unassigned

vector3.cpp

stereo.cpp

unassigned

tetranonplanar.cpp

unassigned

tetraplanar.cpp

unassigned

squareplanar.cpp

unassigned

cistrans.cpp

unassigned

tetrahedral.cpp

unassigned

perception.cpp

unassigned

facade.cpp

libraries


manual

test_implicitH

compile units

unassigned
implicitHtest.cpp

includes

unassigned

implicitHtest.cpp

libraries


manual

test_tetranonplanar

compile units

unassigned
tetranonplanartest.cpp

includes

unassigned

tetranonplanartest.cpp

libraries


manual

gromos96format.so

compile units

unassigned
gromos96format.cpp

includes

unassigned

gromos96format.cpp

libraries


manual