libchemistry-openbabel-perl - amd64

Documentation

Binaries

mmcifformat.so

compile units

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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

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aromatest.cpp

includes

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aromatest.cpp

libraries


manual

pngformat.so

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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

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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

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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

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gamessformat.cpp

includes

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gamessformat.cpp

libraries


manual

xedformat.so

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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

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rxnformat.cpp

includes

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rxnformat.cpp

libraries


manual

svgformat.so

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svgformat.cpp

includes

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svgformat.cpp

libraries


manual

yasaraformat.so

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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

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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

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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

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qchemformat.cpp

includes

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qchemformat.cpp

libraries


manual

test_graphsym

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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

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feature_tests.cxx

includes

feature_tests.cxx

libraries


manual

obfit

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obfit.cpp

includes

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obfit.cpp

libraries


manual

smilesformat.so

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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

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logp_psa.cpp

libraries


manual

test_ringtest

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ringtest.cpp

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ringtest.cpp

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CLOCK_T.bin

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CLOCK_T.c

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CLOCK_T.c

libraries


manual

cssrformat.so

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cssrformat.cpp

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cssrformat.cpp

libraries


manual

gausscubeformat.so

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gausscubeformat.cpp

includes

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gausscubeformat.cpp

libraries


manual

test_spectrophore

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spectrophoretest.cpp

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spectrophoretest.cpp

libraries


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test_ffghemical

compile units

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ffghemical.cpp

includes

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ffghemical.cpp

libraries


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test_bond

compile units

bond.cpp

includes

bond.cpp

libraries


manual

ghemicalformat.so

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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


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fpsformat.so

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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

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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

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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

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

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iterators.cpp

libraries


manual

CSRformat.so

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CSRformat.cpp

includes

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CSRformat.cpp

libraries


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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


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jaguarformat.so

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jaguarformat.cpp

includes

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jaguarformat.cpp

libraries


manual

plugin_ops.so

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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

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titleformat.cpp

includes

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titleformat.cpp

libraries


manual

moldenformat.so

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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

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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


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test_datatest

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datatest.cpp

includes

datatest.cpp

libraries


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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


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test_tetraplanar

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tetraplanartest.cpp

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tetraplanartest.cpp

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chemdrawct.so

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chemdrawct.cpp

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chemdrawct.cpp

libraries


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fastaformat.so

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fastaformat.cpp

includes

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fastaformat.cpp

libraries


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test_formalcharge

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formalcharge.cpp

includes

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formalcharge.cpp

libraries


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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

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


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crkformat.so

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crkformat.cpp

includes

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crkformat.cpp

libraries


manual

chemkinformat.so

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chemkinformat.cpp

includes

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chemkinformat.cpp

libraries


manual

mol2format.so

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mol2format.cpp

includes

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mol2format.cpp

libraries


manual

test_smartstest

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smartstest.cpp

includes

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smartstest.cpp

libraries


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test_atom

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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

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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

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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

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zindoformat.cpp

includes

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zindoformat.cpp

libraries


manual

unichemformat.so

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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

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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

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

includes

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alias.cpp

unassigned

atom.cpp

unassigned

base.cpp

unassigned

bitvec.cpp

unassigned

bond.cpp

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bondtyper.cpp

unassigned

builder.cpp

canon.cpp

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chains.cpp

unassigned

chargemodel.cpp

unassigned

chiral.cpp

unassigned

data.cpp

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descriptor.cpp

unassigned

fingerprint.cpp

unassigned

forcefield.cpp

unassigned

format.cpp

unassigned

generic.cpp

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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

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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

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tetranonplanar.cpp

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tetraplanar.cpp

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squareplanar.cpp

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cistrans.cpp

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tetrahedral.cpp

unassigned

perception.cpp

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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

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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

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opendxformat.cpp

includes

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opendxformat.cpp

libraries


manual

vaspformat.so

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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

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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


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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

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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

unassigned

alchemyformat.cpp

libraries


manual

xsfformat.so

compile units

unassigned
xsfformat.cpp

includes

unassigned

xsfformat.cpp

libraries


manual

shelxformat.so

compile units

unassigned
shelxformat.cpp

includes

unassigned

shelxformat.cpp

libraries


manual

mmodformat.so

compile units

unassigned
mmodformat.cpp

includes

unassigned

mmodformat.cpp

libraries


manual

groformat.so

compile units

unassigned
groformat.cpp

includes

unassigned

groformat.cpp

libraries


manual

dmolformat.so

compile units

unassigned
dmolformat.cpp

includes

unassigned

dmolformat.cpp

libraries


manual

babel

compile units

unassigned
babel.cpp

includes

unassigned

babel.cpp

libraries


manual

bgfformat.so

compile units

unassigned
bgfformat.cpp

includes

unassigned

bgfformat.cpp

libraries


manual

cifformat.so

compile units

unassigned
cifformat.cpp

includes

unassigned

cifformat.cpp

libraries


manual

castepformat.so

compile units

unassigned
castepformat.cpp

includes

unassigned

castepformat.cpp

libraries


manual

APIInterface.so

compile units

unassigned
APIInterface.cpp

includes

unassigned

APIInterface.cpp

libraries


manual

molreport.so

compile units

unassigned
molreport.cpp

includes

unassigned

molreport.cpp

libraries


manual

test_smilesmatch

compile units

unassigned
smilesmatch.cpp

includes

unassigned

smilesmatch.cpp

libraries


manual

test_mol

compile units

unassigned
mol.cpp

includes

unassigned

mol.cpp

libraries


manual

reportformat.so

compile units

unassigned
reportformat.cpp

includes

unassigned

reportformat.cpp

libraries


manual

test_ffuff

compile units

unassigned
ffuff.cpp

includes

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ffuff.cpp

libraries


manual

test_tetrahedral

compile units

unassigned
tetrahedraltest.cpp

includes

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tetrahedraltest.cpp

libraries


manual

test_squareplanar

compile units

unassigned
squareplanartest.cpp

includes

unassigned

squareplanartest.cpp

libraries


manual

OpenBabel.so

compile units

openbabel-perl.cpp

includes

openbabel-perl.cpp

libraries


manual

fhformat.so

compile units

unassigned
fhformat.cpp

includes

unassigned

fhformat.cpp

libraries


manual

test_lssr

compile units

unassigned
lssrtest.cpp

includes

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lssrtest.cpp

libraries


manual

povrayformat.so

compile units

unassigned
povrayformat.cpp

includes

unassigned

povrayformat.cpp

libraries


manual

test_unitcell

compile units

unassigned
unitcell.cpp

includes

unassigned

unitcell.cpp

libraries


manual

copyformat.so

compile units

unassigned
copyformat.cpp

includes

unassigned

copyformat.cpp

libraries


manual

test_builder

compile units

unassigned
buildertest.cpp

includes

unassigned

buildertest.cpp

libraries


manual

test_internalcoord

compile units

internalcoord.cpp

includes

internalcoord.cpp

libraries


manual

test_automorphism

compile units

unassigned
automorphismtest.cpp

includes

unassigned

automorphismtest.cpp

libraries


manual

test_shuffle

compile units

unassigned
shuffletest.cpp

includes

unassigned

shuffletest.cpp

libraries


manual

msiformat.so

compile units

unassigned
msiformat.cpp

includes

unassigned

msiformat.cpp

libraries


manual

pwscfformat.so

compile units

unassigned
pwscfformat.cpp

includes

unassigned

pwscfformat.cpp

libraries


manual

obenergy

compile units

unassigned
obenergy.cpp

includes

unassigned

obenergy.cpp

libraries


manual

plugin_fingerprints.so

compile units

unassigned
finger2.cpp
unassigned
finger3.cpp

includes

unassigned

finger2.cpp

unassigned

finger3.cpp

libraries


manual

test_isomorphism

compile units

unassigned
isomorphismtest.cpp

includes

unassigned

isomorphismtest.cpp

libraries


manual

test_formula

compile units

unassigned
formula.cpp

includes

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formula.cpp

libraries


manual

test_inchiwrite

compile units

unassigned
inchiwrite.cpp
unassigned
getinchi.cpp

includes

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inchiwrite.cpp

unassigned

getinchi.cpp

libraries


manual

dlpolyformat.so

compile units

unassigned
dlpolyformat.cpp

includes

unassigned

dlpolyformat.cpp

libraries


manual

msmsformat.so

compile units

unassigned
msmsformat.cpp

includes

unassigned

msmsformat.cpp

libraries


manual

fhiaimsformat.so

compile units

unassigned
fhiaimsformat.cpp

includes

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fhiaimsformat.cpp

libraries


manual

test_canonstable

compile units

unassigned
canonstabletest.cpp

includes

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canonstabletest.cpp

libraries


manual

obprop

compile units

unassigned
obprop.cpp

includes

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obprop.cpp

libraries


manual

nulformat.so

compile units

unassigned
nulformat.cpp

includes

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nulformat.cpp

libraries


manual

xtcformat.so

compile units

unassigned
xtcformat.cpp

includes

unassigned

xtcformat.cpp

libraries


manual

obconformer

compile units

unassigned
obconformer.cpp

includes

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obconformer.cpp

libraries


manual

test_math

compile units

math.cpp

includes

math.cpp

libraries


manual

a.out

compile units

CMakeCCompilerId.c
Gimple

GKD

OBJ

includes

CMakeCCompilerId.c

libraries


manual

fingerprintformat.so

compile units

unassigned
fingerprintformat.cpp

includes

unassigned

fingerprintformat.cpp

libraries


manual

mdlformat.so

compile units

unassigned
mdlformat.cpp

includes

unassigned

mdlformat.cpp

libraries


manual

mopacformat.so

compile units

unassigned
mopacformat.cpp

includes

unassigned

mopacformat.cpp

libraries


manual

cacheformat.so

compile units

unassigned
cacheformat.cpp

includes

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cacheformat.cpp

libraries


manual

test_stereoperception

compile units

unassigned
stereoperceptiontest.cpp

includes

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stereoperceptiontest.cpp

libraries


manual

obspectrophore

compile units

unassigned
obspectrophore.cpp

includes

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obspectrophore.cpp

libraries


manual

pcmodelformat.so

compile units

unassigned
pcmodelformat.cpp

includes

unassigned

pcmodelformat.cpp

libraries


manual

freefracformat.so

compile units

unassigned
freefracformat.cpp

includes

unassigned

freefracformat.cpp

libraries


manual