openbabel-gui - amd64

Documentation

Binaries

mmcifformat.so

compile units

unassigned
mmcifformat.cpp

includes

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mmcifformat.cpp

libraries


manual

gausszmatformat.so

compile units

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gausszmatformat.cpp

includes

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gausszmatformat.cpp

libraries


manual

test_aromatest

compile units

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aromatest.cpp

includes

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aromatest.cpp

libraries


manual

pngformat.so

compile units

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pngformat.cpp

includes

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pngformat.cpp

libraries


manual

test_format

compile units

format.cpp

includes

format.cpp

libraries


manual

xyzformat.so

compile units

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xyzformat.cpp

includes

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xyzformat.cpp

libraries


manual

balstformat.so

compile units

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balstformat.cpp

includes

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balstformat.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

test_invalidsmarts

compile units

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invalidsmarts.cpp

includes

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invalidsmarts.cpp

libraries


manual

obabel

compile units

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obabel.cpp

includes

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obabel.cpp

libraries


manual

test_charge-mmff94

compile units

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charge-mmff94.cpp

includes

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charge-mmff94.cpp

libraries


manual

gamessformat.so

compile units

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gamessformat.cpp

includes

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gamessformat.cpp

libraries


manual

xedformat.so

compile units

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xedformat.cpp

includes

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xedformat.cpp

libraries


manual

gamessukformat.so

compile units

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gamessukformat.cpp

includes

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gamessukformat.cpp

libraries


manual

test_charge-gasteiger

compile units

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charge-gasteiger.cpp

includes

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charge-gasteiger.cpp

libraries


manual

PQSformat.so

compile units

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PQSformat.cpp

includes

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PQSformat.cpp

libraries


manual

molproformat.so

compile units

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molproformat.cpp

includes

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molproformat.cpp

libraries


manual

rxnformat.so

compile units

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rxnformat.cpp

includes

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rxnformat.cpp

libraries


manual

svgformat.so

compile units

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svgformat.cpp

includes

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svgformat.cpp

libraries


manual

yasaraformat.so

compile units

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yasaraformat.cpp

includes

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yasaraformat.cpp

libraries


manual

ompver_C.bin

compile units

OpenMPCheckVersion.c

includes

OpenMPCheckVersion.c

libraries


manual

test_cansmi

compile units

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cansmi.cpp

includes

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cansmi.cpp

libraries


manual

obchiral

compile units

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obchiral.cpp

includes

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obchiral.cpp

libraries


manual

textformat.so

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textformat.cpp

includes

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textformat.cpp

libraries


manual

chemtoolformat.so

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chemtoolformat.cpp

includes

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chemtoolformat.cpp

libraries


manual

test_smartsparse

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smartsparse.cpp

includes

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smartsparse.cpp

libraries


manual

test_ffgaff

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ffgaff.cpp

includes

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ffgaff.cpp

libraries


manual

test_conversion

compile units

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conversion.cpp

includes

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conversion.cpp

libraries


manual

nwchemformat.so

compile units

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nwchemformat.cpp

includes

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nwchemformat.cpp

libraries


manual

roundtrip

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roundtrip.cpp

includes

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roundtrip.cpp

libraries


manual

amberformat.so

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amberformat.cpp

includes

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amberformat.cpp

libraries


manual

rsmiformat.so

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rsmiformat.cpp

includes

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rsmiformat.cpp

libraries


manual

obrotamer

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obrotamer.cpp

includes

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obrotamer.cpp

libraries


manual

obrotate

compile units

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obrotate.cpp

includes

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obrotate.cpp

libraries


manual

obgrep

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obgrep.cpp

includes

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obgrep.cpp

libraries


manual

tinkerformat.so

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tinkerformat.cpp

includes

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tinkerformat.cpp

libraries


manual

qchemformat.so

compile units

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qchemformat.cpp

includes

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qchemformat.cpp

libraries


manual

test_graphsym

compile units

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graphsymtest.cpp

includes

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graphsymtest.cpp

libraries


manual

obminimize

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obminimize.cpp

includes

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obminimize.cpp

libraries


manual

test_residue

compile units

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residue.cpp

includes

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residue.cpp

libraries


manual

feature_tests.bin

compile units

feature_tests.cxx

includes

feature_tests.cxx

libraries


manual

obfit

compile units

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obfit.cpp

includes

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obfit.cpp

libraries


manual

smilesformat.so

compile units

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smilesformat.cpp

includes

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smilesformat.cpp

libraries


manual

test_logp_psa

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logp_psa.cpp

includes

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logp_psa.cpp

libraries


manual

test_ringtest

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ringtest.cpp

includes

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ringtest.cpp

libraries


manual

CLOCK_T.bin

compile units

CLOCK_T.c

includes

CLOCK_T.c

libraries


manual

cssrformat.so

compile units

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cssrformat.cpp

includes

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cssrformat.cpp

libraries


manual

gausscubeformat.so

compile units

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gausscubeformat.cpp

includes

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gausscubeformat.cpp

libraries


manual

test_spectrophore

compile units

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spectrophoretest.cpp

includes

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spectrophoretest.cpp

libraries


manual

test_ffghemical

compile units

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ffghemical.cpp

includes

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ffghemical.cpp

libraries


manual

test_bond

compile units

bond.cpp

includes

bond.cpp

libraries


manual

ghemicalformat.so

compile units

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ghemicalformat.cpp

includes

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ghemicalformat.cpp

libraries


manual

abinitformat.so

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abinitformat.cpp

includes

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abinitformat.cpp

libraries


manual

fpsformat.so

compile units

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fpsformat.cpp

includes

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fpsformat.cpp

libraries


manual

plugin_charges.so

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

includes

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eem.cpp

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gasteiger.cpp

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none.cpp

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mmff94.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
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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_implicitH

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implicitHtest.cpp

includes

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implicitHtest.cpp

libraries


manual

test_iterators

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iterators.cpp

includes

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iterators.cpp

libraries


manual

CSRformat.so

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CSRformat.cpp

includes

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CSRformat.cpp

libraries


manual

posformat.so

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posformat.cpp

includes

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posformat.cpp

libraries


manual

pdbqtformat.so

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pdbqtformat.cpp

includes

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pdbqtformat.cpp

libraries


manual

jaguarformat.so

compile units

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jaguarformat.cpp

includes

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jaguarformat.cpp

libraries


manual

plugin_ops.so

compile units

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

includes

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addfilename.cpp

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addinindex.cpp

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addpolarh.cpp

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canonical.cpp

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gen2D.cpp

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fillUC.cpp

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forcefield.cpp

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gen3d.cpp

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largest.cpp

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loader.cpp

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optransform.cpp

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partialcharges.cpp

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readconformers.cpp

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sort.cpp

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opisomorph.cpp

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ophighlight.cpp

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xout.cpp

libraries


manual

titleformat.so

compile units

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titleformat.cpp

includes

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titleformat.cpp

libraries


manual

moldenformat.so

compile units

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moldenformat.cpp

includes

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moldenformat.cpp

libraries


manual

chemdrawcdx.so

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chemdrawcdx.cpp

includes

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chemdrawcdx.cpp

libraries


manual

acesformat.so

compile units

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acesformat.cpp

includes

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acesformat.cpp

libraries


manual

test_uniqueid

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uniqueidtest.cpp

includes

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uniqueidtest.cpp

libraries


manual

adfformat.so

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adfformat.cpp

includes

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adfformat.cpp

libraries


manual

test_datatest

compile units

datatest.cpp

includes

datatest.cpp

libraries


manual

test_cistrans

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cistranstest.cpp

includes

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cistranstest.cpp

libraries


manual

mpqcformat.so

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mpqcformat.cpp

includes

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mpqcformat.cpp

libraries


manual

hinformat.so

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hinformat.cpp

includes

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hinformat.cpp

libraries


manual

test_tetraplanar

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tetraplanartest.cpp

includes

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tetraplanartest.cpp

libraries


manual

chemdrawct.so

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chemdrawct.cpp

includes

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chemdrawct.cpp

libraries


manual

fastaformat.so

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fastaformat.cpp

includes

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fastaformat.cpp

libraries


manual

test_formalcharge

compile units

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formalcharge.cpp

includes

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formalcharge.cpp

libraries


manual

plugin_descriptors.so

compile units

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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
unassigned
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

test_canonconsistent

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canonconsistenttest.cpp

includes

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canonconsistenttest.cpp

libraries


manual

acrformat.so

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acrformat.cpp

includes

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acrformat.cpp

libraries


manual

crkformat.so

compile units

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crkformat.cpp

includes

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crkformat.cpp

libraries


manual

chemkinformat.so

compile units

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chemkinformat.cpp

includes

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chemkinformat.cpp

libraries


manual

mol2format.so

compile units

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mol2format.cpp

includes

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mol2format.cpp

libraries


manual

test_smartstest

compile units

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smartstest.cpp

includes

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smartstest.cpp

libraries


manual

test_atom

compile units

atom.cpp

includes

atom.cpp

libraries


manual

thermoformat.so

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thermoformat.cpp

includes

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thermoformat.cpp

libraries


manual

asciiformat.so

compile units

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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

test_stereo

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stereotest.cpp

includes

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stereotest.cpp

libraries


manual

crystal09format.so

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crystal09format.cpp

includes

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crystal09format.cpp

libraries


manual

MCDLformat.so

compile units

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MCDLformat.cpp

includes

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MCDLformat.cpp

libraries


manual

CMakeDetermineCompilerABI_CXX.bin

compile units

CMakeCXXCompilerABI.cpp

includes

CMakeCXXCompilerABI.cpp

libraries


manual

test_rotor

compile units

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rotortest.cpp

includes

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rotortest.cpp

libraries


manual

boxformat.so

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boxformat.cpp

includes

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boxformat.cpp

libraries


manual

fchkformat.so

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fchkformat.cpp

includes

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fchkformat.cpp

libraries


manual

fastsearchformat.so

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fastsearchformat.cpp

includes

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fastsearchformat.cpp

libraries


manual

chem3dformat.so

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chem3dformat.cpp

includes

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chem3dformat.cpp

libraries


manual

zindoformat.so

compile units

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zindoformat.cpp

includes

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zindoformat.cpp

libraries


manual

unichemformat.so

compile units

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unichemformat.cpp

includes

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unichemformat.cpp

libraries


manual

pdbformat.so

compile units

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pdbformat.cpp

includes

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pdbformat.cpp

libraries


manual

obgen

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obgen.cpp

includes

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obgen.cpp

libraries


manual

gulpformat.so

compile units

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gulpformat.cpp

includes

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gulpformat.cpp

libraries


manual

lmpdatformat.so

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lmpdatformat.cpp

includes

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lmpdatformat.cpp

libraries


manual

featformat.so

compile units

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featformat.cpp

includes

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featformat.cpp

libraries


manual

test_tetranonplanar

compile units

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tetranonplanartest.cpp

includes

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tetranonplanartest.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
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forcefield.cpp
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format.cpp
unassigned
generic.cpp
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graphsym.cpp
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grid.cpp
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griddata.cpp
unassigned
isomorphism.cpp
unassigned
kekulize.cpp
locale.cpp
matrix.cpp
unassigned
mcdlutil.cpp
unassigned
molchrg.cpp
unassigned
mol.cpp
unassigned
obconversion.cpp
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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
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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

outformat.so

compile units

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outformat.cpp

includes

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outformat.cpp

libraries


manual

pqrformat.so

compile units

unassigned
pqrformat.cpp

includes

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pqrformat.cpp

libraries


manual

ompver_CXX.bin

compile units

OpenMPCheckVersion.cpp

includes

OpenMPCheckVersion.cpp

libraries


manual

CMakeDetermineCompilerABI_C.bin

compile units

CMakeCCompilerABI.c

includes

CMakeCCompilerABI.c

libraries


manual

opendxformat.so

compile units

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opendxformat.cpp

includes

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opendxformat.cpp

libraries


manual

vaspformat.so

compile units

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vaspformat.cpp

includes

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vaspformat.cpp

libraries


manual

test_smiles

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smilestest.cpp

includes

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smilestest.cpp

libraries


manual

mpdformat.so

compile units

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mpdformat.cpp

includes

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mpdformat.cpp

libraries


manual

turbomoleformat.so

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turbomoleformat.cpp

includes

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turbomoleformat.cpp

libraries


manual

cccformat.so

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cccformat.cpp

includes

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cccformat.cpp

libraries


manual

test_phmodel

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phmodel.cpp

includes

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phmodel.cpp

libraries


manual

test_ffmmff94

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ffmmff94.cpp

includes

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ffmmff94.cpp

libraries


manual

gromos96format.so

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gromos96format.cpp

includes

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gromos96format.cpp

libraries


manual

viewmolformat.so

compile units

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viewmolformat.cpp

includes

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viewmolformat.cpp

libraries


manual

cacaoformat.so

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cacaoformat.cpp

includes

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cacaoformat.cpp

libraries


manual

carformat.so

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carformat.cpp

includes

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carformat.cpp

libraries


manual

test_invalidsmiles

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invalidsmiles.cpp

includes

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invalidsmiles.cpp

libraries


manual

gaussformat.so

compile units

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gaussformat.cpp

includes

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gaussformat.cpp

libraries


manual

MNAformat.so

compile units

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MNAformat.cpp

includes

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MNAformat.cpp

libraries


manual

obprobe

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obprobe.cpp

includes

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obprobe.cpp

libraries


manual

alchemyformat.so

compile units

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alchemyformat.cpp

includes

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alchemyformat.cpp

libraries


manual

xsfformat.so

compile units

unassigned
xsfformat.cpp

includes

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xsfformat.cpp

libraries


manual

shelxformat.so

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unassigned
shelxformat.cpp

includes

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shelxformat.cpp

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manual

mmodformat.so

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mmodformat.cpp

includes

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mmodformat.cpp

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manual

groformat.so

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unassigned
groformat.cpp

includes

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groformat.cpp

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manual

dmolformat.so

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unassigned
dmolformat.cpp

includes

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dmolformat.cpp

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manual

babel

compile units

unassigned
babel.cpp

includes

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babel.cpp

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manual

bgfformat.so

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bgfformat.cpp

includes

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bgfformat.cpp

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manual

cifformat.so

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cifformat.cpp

includes

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cifformat.cpp

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castepformat.so

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unassigned
castepformat.cpp

includes

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castepformat.cpp

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manual

APIInterface.so

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APIInterface.cpp

includes

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APIInterface.cpp

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manual

molreport.so

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molreport.cpp

includes

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molreport.cpp

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manual

test_smilesmatch

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smilesmatch.cpp

includes

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smilesmatch.cpp

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test_mol

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mol.cpp

includes

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mol.cpp

libraries


manual

reportformat.so

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reportformat.cpp

includes

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reportformat.cpp

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manual

test_ffuff

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ffuff.cpp

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ffuff.cpp

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test_tetrahedral

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tetrahedraltest.cpp

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tetrahedraltest.cpp

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test_squareplanar

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squareplanartest.cpp

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squareplanartest.cpp

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manual

OpenBabel.so

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openbabel-perl.cpp

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openbabel-perl.cpp

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manual

fhformat.so

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unassigned
fhformat.cpp

includes

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fhformat.cpp

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manual

test_lssr

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lssrtest.cpp

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lssrtest.cpp

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manual

povrayformat.so

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povrayformat.cpp

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povrayformat.cpp

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manual

test_unitcell

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unitcell.cpp

includes

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unitcell.cpp

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manual

copyformat.so

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copyformat.cpp

includes

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copyformat.cpp

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manual

test_builder

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buildertest.cpp

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buildertest.cpp

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test_internalcoord

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internalcoord.cpp

includes

internalcoord.cpp

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manual

test_automorphism

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automorphismtest.cpp

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automorphismtest.cpp

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test_shuffle

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shuffletest.cpp

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shuffletest.cpp

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manual

msiformat.so

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msiformat.cpp

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msiformat.cpp

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manual

pwscfformat.so

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pwscfformat.cpp

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pwscfformat.cpp

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manual

obenergy

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obenergy.cpp

includes

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obenergy.cpp

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manual

plugin_fingerprints.so

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unassigned
finger2.cpp
unassigned
finger3.cpp

includes

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finger2.cpp

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finger3.cpp

libraries


manual

test_isomorphism

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isomorphismtest.cpp

includes

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isomorphismtest.cpp

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manual

test_formula

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formula.cpp

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formula.cpp

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manual

test_inchiwrite

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inchiwrite.cpp
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getinchi.cpp

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inchiwrite.cpp

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getinchi.cpp

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manual

dlpolyformat.so

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dlpolyformat.cpp

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dlpolyformat.cpp

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manual

msmsformat.so

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msmsformat.cpp

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msmsformat.cpp

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manual

fhiaimsformat.so

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fhiaimsformat.cpp

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fhiaimsformat.cpp

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manual

test_canonstable

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canonstabletest.cpp

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canonstabletest.cpp

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obprop

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obprop.cpp

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obprop.cpp

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manual

nulformat.so

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nulformat.cpp

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nulformat.cpp

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manual

xtcformat.so

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xtcformat.cpp

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xtcformat.cpp

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manual

obconformer

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obconformer.cpp

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obconformer.cpp

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manual

test_math

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math.cpp

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math.cpp

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manual

a.out

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CMakeCCompilerId.c
Gimple

GKD

OBJ

includes

CMakeCCompilerId.c

libraries


manual

fingerprintformat.so

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fingerprintformat.cpp

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fingerprintformat.cpp

libraries


manual

mdlformat.so

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mdlformat.cpp

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mdlformat.cpp

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manual

mopacformat.so

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mopacformat.cpp

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mopacformat.cpp

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manual

cacheformat.so

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cacheformat.cpp

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cacheformat.cpp

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test_stereoperception

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stereoperceptiontest.cpp

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stereoperceptiontest.cpp

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manual

obspectrophore

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obspectrophore.cpp

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obspectrophore.cpp

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manual

pcmodelformat.so

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pcmodelformat.cpp

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pcmodelformat.cpp

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manual

freefracformat.so

compile units

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freefracformat.cpp

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freefracformat.cpp

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manual