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~ubuntu-branches/debian/stretch/openbabel/stretch

Viewing all changes in revision 13.

Committer: Package Import Robot
Author(s): Daniel Leidert
Date: 2013-05-22 19:08:27 UTC
mfrom: (1.1.11) (7.1.9 sid)
Revision ID: package-import@ubuntu.com-20130522190827-72q0fnx5y2nm3bc0

Tags: 2.3.2+dfsg-1

* New upstream release.
* debian/control: Dropped DM-Upload-Allowed field.
(Standards-Version): Bumped to 3.9.4.
* debian/copyright: Massive update.
* debian/upstream: Author name update.
* debian/get-orig-source.sh: Remove the windows-*/ directory too.
* debian/openbabel.install: Removed roundtrip manpage.
* debian/openbabel-gui.install: Fixed manpage name.
* debian/openbabel-gui.links: Removed unused file.
* debian/rules: Enable OpenMP. Disable tests on `nocheck'.
* debian/patches/gaussformat_nosym.patch: Dropped. Applied upstream.
* debian/patches/moldenformat_coordonly.patch: Ditto.
* debian/patches/obspectrophore_man.patch: Ditto.
* debian/patches/fix_ftbfs.patch: Added.
- Fix several FTBFS issues in upstream build system.
* debian/patches/series: Adjusted.

files added:
.pc/fix_ftbfs.patch

.pc/fix_ftbfs.patch/scripts

.pc/fix_ftbfs.patch/scripts/CMakeLists.txt

.pc/fix_ftbfs.patch/scripts/python

.pc/fix_ftbfs.patch/scripts/python/setup.py

.pc/libinchi_static.patch/src/formats/libinchi

.pc/libinchi_static.patch/src/formats/libinchi/CMakeLists.txt

data/mpC.txt

data/splash.png

debian/patches/fix_ftbfs.patch

doc/obgui.1

doc/obgui.html

doc/splash.png

include/inchi

include/inchi/aux2atom.h

include/inchi/extr_ct.h

include/inchi/ichi.h

include/inchi/ichi_bns.h

include/inchi/ichi_io.h

include/inchi/ichicano.h

include/inchi/ichicant.h

include/inchi/ichicomn.h

include/inchi/ichicomp.h

include/inchi/ichidrp.h

include/inchi/ichierr.h

include/inchi/ichimain.h

include/inchi/ichimake.h

include/inchi/ichinorm.h

include/inchi/ichiparm.h

include/inchi/ichiring.h

include/inchi/ichirvrs.h

include/inchi/ichisize.h

include/inchi/ichister.h

include/inchi/ichitaut.h

include/inchi/ichitime.h

include/inchi/ikey_base26.h

include/inchi/inchi_api.h

include/inchi/inchi_dll_a.h

include/inchi/inchi_dll_main.h

include/inchi/inchicmp.h

include/inchi/incomdef.h

include/inchi/inpdef.h

include/inchi/lreadmol.h

include/inchi/mode.h

include/inchi/sha2.h

include/inchi/strutil.h

include/inchi/util.h

include/openbabel/depict/asciipainter.h

include/openbabel/stereo/bindings.h

scripts/python/examples/dalke_test.py

scripts/stereo.i

src/depict/asciipainter.cpp

src/formats/acesformat.cpp

src/formats/asciiformat.cpp

src/formats/crystal09format.cpp

src/formats/fpsformat.cpp

src/formats/libinchi

src/formats/libinchi/CMakeLists.txt

src/formats/libinchi/ichi_bns.c

src/formats/libinchi/ichi_io.c

src/formats/libinchi/ichican2.c

src/formats/libinchi/ichicano.c

src/formats/libinchi/ichicans.c

src/formats/libinchi/ichiisot.c

src/formats/libinchi/ichilnct.c

src/formats/libinchi/ichimak2.c

src/formats/libinchi/ichimake.c

src/formats/libinchi/ichimap1.c

src/formats/libinchi/ichimap2.c

src/formats/libinchi/ichimap4.c

src/formats/libinchi/ichinorm.c

src/formats/libinchi/ichiparm.c

src/formats/libinchi/ichiprt1.c

src/formats/libinchi/ichiprt2.c

src/formats/libinchi/ichiprt3.c

src/formats/libinchi/ichiqueu.c

src/formats/libinchi/ichiread.c

src/formats/libinchi/ichiring.c

src/formats/libinchi/ichirvr1.c

src/formats/libinchi/ichirvr2.c

src/formats/libinchi/ichirvr3.c

src/formats/libinchi/ichirvr4.c

src/formats/libinchi/ichirvr5.c

src/formats/libinchi/ichirvr6.c

src/formats/libinchi/ichirvr7.c

src/formats/libinchi/ichisort.c

src/formats/libinchi/ichister.c

src/formats/libinchi/ichitaut.c

src/formats/libinchi/ikey_base26.c

src/formats/libinchi/ikey_dll.c

src/formats/libinchi/inchi_dll.c

src/formats/libinchi/inchi_dll_a.c

src/formats/libinchi/inchi_dll_a2.c

src/formats/libinchi/inchi_dll_main.c

src/formats/libinchi/runichi.c

src/formats/libinchi/sha2.c

src/formats/libinchi/strutil.c

src/formats/libinchi/util.c

src/formats/lmpdatformat.cpp

src/formats/posformat.cpp

src/ops/ophighlight.cpp

test/files/testsym_2Dtests_more.sdf

test/files/testsym_2Dtests_threeligands.sdf

tools/obrms.cpp

files removed:
.pc/gaussformat_nosym.patch

.pc/gaussformat_nosym.patch/src

.pc/gaussformat_nosym.patch/src/formats

.pc/gaussformat_nosym.patch/src/formats/gaussformat.cpp

.pc/libinchi_static.patch/src/formats/inchi103

.pc/libinchi_static.patch/src/formats/inchi103/CMakeLists.txt

.pc/moldenformat_coordonly.patch

.pc/moldenformat_coordonly.patch/src

.pc/moldenformat_coordonly.patch/src/formats

.pc/moldenformat_coordonly.patch/src/formats/moldenformat.cpp

.pc/obspectrophore_man.patch

.pc/obspectrophore_man.patch/doc

.pc/obspectrophore_man.patch/doc/obspectrophore.1

.pc/obspectrophore_man.patch/doc/obspectrophore.html

debian/openbabel-gui.links

debian/patches/gaussformat_nosym.patch

debian/patches/moldenformat_coordonly.patch

debian/patches/obspectrophore_man.patch

doc/OBGUI.1

include/inchi103

include/inchi103/aux2atom.h

include/inchi103/extr_ct.h

include/inchi103/ichi.h

include/inchi103/ichi_bns.h

include/inchi103/ichi_io.h

include/inchi103/ichicano.h

include/inchi103/ichicant.h

include/inchi103/ichicomn.h

include/inchi103/ichicomp.h

include/inchi103/ichidrp.h

include/inchi103/ichierr.h

include/inchi103/ichimain.h

include/inchi103/ichimake.h

include/inchi103/ichinorm.h

include/inchi103/ichiparm.h

include/inchi103/ichiring.h

include/inchi103/ichirvrs.h

include/inchi103/ichisize.h

include/inchi103/ichister.h

include/inchi103/ichitaut.h

include/inchi103/ichitime.h

include/inchi103/ikey_base26.h

include/inchi103/inchi_api.h

include/inchi103/inchi_dll_a.h

include/inchi103/inchi_dll_main.h

include/inchi103/inchicmp.h

include/inchi103/incomdef.h

include/inchi103/inpdef.h

include/inchi103/lreadmol.h

include/inchi103/mode.h

include/inchi103/sha2.h

include/inchi103/strutil.h

include/inchi103/util.h

scripts/python/pybel_py2x.py

scripts/python/pybel_py3x.py

src/formats/inchi103

src/formats/inchi103/CMakeLists.txt

src/formats/inchi103/ichi_bns.c

src/formats/inchi103/ichi_io.c

src/formats/inchi103/ichican2.c

src/formats/inchi103/ichicano.c

src/formats/inchi103/ichicans.c

src/formats/inchi103/ichiisot.c

src/formats/inchi103/ichilnct.c

src/formats/inchi103/ichimak2.c

src/formats/inchi103/ichimake.c

src/formats/inchi103/ichimap1.c

src/formats/inchi103/ichimap2.c

src/formats/inchi103/ichimap4.c

src/formats/inchi103/ichinorm.c

src/formats/inchi103/ichiparm.c

src/formats/inchi103/ichiprt1.c

src/formats/inchi103/ichiprt2.c

src/formats/inchi103/ichiprt3.c

src/formats/inchi103/ichiqueu.c

src/formats/inchi103/ichiread.c

src/formats/inchi103/ichiring.c

src/formats/inchi103/ichirvr1.c

src/formats/inchi103/ichirvr2.c

src/formats/inchi103/ichirvr3.c

src/formats/inchi103/ichirvr4.c

src/formats/inchi103/ichirvr5.c

src/formats/inchi103/ichirvr6.c

src/formats/inchi103/ichirvr7.c

src/formats/inchi103/ichisort.c

src/formats/inchi103/ichister.c

src/formats/inchi103/ichitaut.c

src/formats/inchi103/ikey_base26.c

src/formats/inchi103/ikey_dll.c

src/formats/inchi103/inchi_dll.c

src/formats/inchi103/inchi_dll_a.c

src/formats/inchi103/inchi_dll_a2.c

src/formats/inchi103/inchi_dll_main.c

src/formats/inchi103/runichi.c

src/formats/inchi103/sha2.c

src/formats/inchi103/strutil.c

src/formats/inchi103/util.c

windows-vc2008

windows-vc2008/Distribution

windows-vc2008/Distribution/ExampleFiles

windows-vc2008/Distribution/ExampleFiles/150mols.smi

windows-vc2008/Distribution/ExampleFiles/FourSmallMols.cml

windows-vc2008/Distribution/ExampleFiles/oxamide.cml

windows-vc2008/Distribution/ExampleFiles/serotonin.mol

windows-vc2008/Distribution/NSISScriptToCreateInstaller.nsi

windows-vc2008/Distribution/OBDotNetAssemblyInfo.cs

windows-vc2008/Distribution/Python

windows-vc2008/Distribution/Python/a_obpython.bat

windows-vc2008/Distribution/Python/b_obpython.bat

windows-vc2008/Distribution/Python/logo.bmp

windows-vc2008/Distribution/Python/setup.py

windows-vc2008/Distribution/ToolsPrograms.txt

windows-vc2008/Distribution/logo_big.bmp

windows-vc2008/Distribution/logo_small.bmp

windows-vc2008/Distribution/obdotnet.snk

windows-vc2008/default_build.bat

windows-vc2008/include

windows-vc2008/include/cairo

windows-vc2008/include/cairo/cairo-deprecated.h

windows-vc2008/include/cairo/cairo-features.h

windows-vc2008/include/cairo/cairo-ft.h

windows-vc2008/include/cairo/cairo-gobject.h

windows-vc2008/include/cairo/cairo-pdf.h

windows-vc2008/include/cairo/cairo-ps.h

windows-vc2008/include/cairo/cairo-script-interpreter.h

windows-vc2008/include/cairo/cairo-svg.h

windows-vc2008/include/cairo/cairo-version.h

windows-vc2008/include/cairo/cairo-win32.h

windows-vc2008/include/cairo/cairo.h

windows-vc2008/include/inttypes.h

windows-vc2008/include/rpc

windows-vc2008/include/rpc/types.h

windows-vc2008/include/rpc/xdr.h

windows-vc2008/include/stdint.h

windows-vc2008/libs

windows-vc2008/libs/i386

windows-vc2008/libs/i386/cairo.lib

windows-vc2008/libs/i386/env.bat

windows-vc2008/libs/i386/libinchi.lib

windows-vc2008/libs/i386/libxml2.lib

windows-vc2008/libs/i386/readme.txt

windows-vc2008/libs/i386/xdr.lib

windows-vc2008/libs/i386/zlib1.lib

windows-vc2008/libs/x64

windows-vc2008/libs/x64/env.bat

windows-vc2008/libs/x64/libstdinchi.lib

windows-vc2008/libs/x64/libxml2.lib

windows-vc2008/libs/x64/readme.txt

windows-vc2008/libs/x64/zlib1.lib

windows-vc2008/minimal_build.bat

windows-vc2008/obdepict.bat

windows-vc2008/sdf.bat

windows-vc2008/x64_default_build.bat

files modified:
.pc/applied-patches

.pc/perl_hardening.patch/scripts/CMakeLists.txt

CMakeLists.txt

ChangeLog

Doxyfile

data/atomtyp.txt

data/element.txt

data/mmffs_oop.par

data/plugindefines.txt

data/space-groups.txt

data/superatom.txt

data/svgformat.script

debian/changelog

debian/control

debian/copyright

debian/get-orig-source.sh

debian/openbabel-gui.install

debian/openbabel.install

debian/patches/libinchi_static.patch

debian/patches/perl_hardening.patch

debian/patches/series

debian/rules

debian/upstream

doc/CMakeLists.txt

doc/Doxyfile.in

doc/babel.1

doc/babel.html

include/inchi_api.h

include/libxml/pattern.h

include/openbabel/atom.h

include/openbabel/conformersearch.h

include/openbabel/depict/cairopainter.h

include/openbabel/depict/depict.h

include/openbabel/depict/painter.h

include/openbabel/descriptor.h

include/openbabel/forcefield.h

include/openbabel/format.h

include/openbabel/obconversion.h

include/openbabel/obiter.h

include/openbabel/op.h

include/openbabel/plugin.h

include/openbabel/query.h

include/openbabel/rotor.h

scripts/CMakeLists.txt

scripts/csharp/openbabel-csharp.cpp

scripts/java/openbabel-java.cpp

scripts/java/openbabel.jar

scripts/openbabel-csharp.i

scripts/openbabel-java.i

scripts/openbabel-perl.i

scripts/openbabel-python.i

scripts/perl/OpenBabel.pm

scripts/perl/openbabel-perl.cpp

scripts/python/examples/testpybel.py

scripts/python/openbabel-python.cpp

scripts/python/openbabel.py

scripts/python/pybel.py *

scripts/python/setup.py

src/CMakeLists.txt

src/GUI/OBGUI.cpp

src/GUI/OBGUI.h

src/GUI/optswx.cpp

src/alias.cpp

src/atom.cpp

src/bitvec.cpp

src/bondtyper.cpp

src/builder.cpp

src/canon.cpp

src/chains.cpp

src/charges/eem.cpp

src/charges/qeq.cpp

src/charges/qtpie.cpp

src/conformersearch.cpp

src/data.cpp

src/depict/cairopainter.cpp

src/depict/depict.cpp

src/depict/svgpainter.cpp

src/descriptor.cpp

src/descriptors/cansmidescriptor.cpp

src/descriptors/cmpdfilter.cpp

src/descriptors/groupcontrib.cpp

src/fingerprints/finger2.cpp

src/fingerprints/finger3.cpp

src/forcefield.cpp

src/forcefields/forcefieldgaff.h

src/forcefields/forcefieldghemical.cpp

src/forcefields/forcefieldghemical.h

src/forcefields/forcefieldmmff94.cpp

src/forcefields/forcefieldmmff94.h

src/forcefields/forcefielduff.cpp

src/forcefields/forcefielduff.h

src/formats/CMakeLists.txt

src/formats/MCDLformat.cpp

src/formats/abinitformat.cpp

src/formats/acrformat.cpp

src/formats/adfformat.cpp

src/formats/chemdrawcdx.cpp

src/formats/chemkinformat.cpp

src/formats/cifformat.cpp

src/formats/fastsearchformat.cpp

src/formats/formats.cmake

src/formats/gamessformat.cpp

src/formats/gausscubeformat.cpp

src/formats/gaussformat.cpp

src/formats/gausszmatformat.cpp

src/formats/genbankformat.cpp

src/formats/groformat.cpp

src/formats/gulpformat.cpp

src/formats/inchiformat.cpp

src/formats/mdlformat.cpp

src/formats/mmcifformat.cpp

src/formats/mmodformat.cpp

src/formats/mol2format.cpp

src/formats/moldenformat.cpp

src/formats/mopacformat.cpp

src/formats/msiformat.cpp

src/formats/opendxformat.cpp

src/formats/outformat.cpp

src/formats/pdbformat.cpp

src/formats/png2format.cpp

src/formats/pngformat.cpp

src/formats/pqrformat.cpp

src/formats/rsmiformat.cpp

src/formats/rxnformat.cpp

src/formats/smilesformat.cpp

src/formats/svgformat.cpp

src/formats/thermoformat.cpp

src/formats/tinkerformat.cpp

src/formats/vaspformat.cpp

src/formats/xml/cmlformat.cpp

src/formats/xml/cmlreactformat.cpp

src/generic.cpp

src/graphsym.cpp

src/grid.cpp

src/isomorphism.cpp

src/kekulize.cpp

src/math/align.cpp

src/math/spacegroup.cpp

src/math/vector3.cpp

src/mcdlutil.cpp

src/mol.cpp

src/obconversion.cpp

src/obiter.cpp

src/obmolecformat.cpp

src/obutil.cpp

src/ops/fillUC.cpp

src/ops/gen3d.cpp

src/ops/largest.cpp

src/ops/opalign.cpp

src/ops/opisomorph.cpp

src/ops/opisomorph.h

src/ops/optransform.cpp

src/parsmart.cpp

src/phmodel.cpp

src/plugin.cpp

src/ring.cpp

src/rotor.cpp

src/spectrophore.cpp

src/stereo/perception.cpp

src/stereo/stereo.cpp

src/stereo/tetrahedral.cpp

src/transform.cpp

src/typer.cpp

test/CMakeLists.txt

test/aligntest.cpp

test/buildertest.cpp

test/ffmmff94.cpp

test/files/attype.00.smi

test/files/formalchargeresults.txt

test/files/formularesults.txt

test/files/ringresults.txt

test/files/smartsresults.txt

test/files/testsym_2Dtests.sdf

test/formula.cpp

test/iterators.cpp

test/shuffletest.cpp

test/stereoperceptiontest.cpp

test/testbindings.py

test/testsym.py

test/uniqueidtest.cpp

tools/CMakeLists.txt

tools/README

tools/babel.cpp

tools/obabel.cpp

tools/obgrep.cpp

tools/obminimize.cpp

tools/obrotamer.cpp

tools/obrotate.cpp

tools/obspectrophore.cpp

Show diffs side-by-side

added added

removed removed

.pc/applied-patches

.pc/fix_ftbfs.patch/

.pc/fix_ftbfs.patch/scripts/

.pc/fix_ftbfs.patch/scripts/CMakeLists.txt

.pc/fix_ftbfs.patch/scripts/python/

.pc/fix_ftbfs.patch/scripts/python/setup.py

.pc/gaussformat_nosym.patch/

.pc/gaussformat_nosym.patch/src/

.pc/gaussformat_nosym.patch/src/formats/

.pc/gaussformat_nosym.patch/src/formats/gaussformat.cpp

.pc/libinchi_static.patch/src/formats/inchi103/

.pc/libinchi_static.patch/src/formats/inchi103/CMakeLists.txt

.pc/libinchi_static.patch/src/formats/libinchi/

.pc/libinchi_static.patch/src/formats/libinchi/CMakeLists.txt

.pc/moldenformat_coordonly.patch/

.pc/moldenformat_coordonly.patch/src/

.pc/moldenformat_coordonly.patch/src/formats/

.pc/moldenformat_coordonly.patch/src/formats/moldenformat.cpp

.pc/obspectrophore_man.patch/

.pc/obspectrophore_man.patch/doc/

.pc/obspectrophore_man.patch/doc/obspectrophore.1

.pc/obspectrophore_man.patch/doc/obspectrophore.html

.pc/perl_hardening.patch/scripts/CMakeLists.txt

data/atomtyp.txt

data/element.txt

data/mmffs_oop.par

data/plugindefines.txt

data/space-groups.txt

data/splash.png

data/superatom.txt

data/svgformat.script

debian/changelog

debian/copyright

debian/get-orig-source.sh

debian/openbabel-gui.install

debian/openbabel-gui.links

debian/openbabel.install

debian/patches/fix_ftbfs.patch

debian/patches/gaussformat_nosym.patch

debian/patches/libinchi_static.patch

debian/patches/moldenformat_coordonly.patch

debian/patches/obspectrophore_man.patch

debian/patches/perl_hardening.patch

debian/patches/series

debian/upstream

doc/CMakeLists.txt

doc/Doxyfile.in

include/inchi/aux2atom.h

include/inchi/extr_ct.h

include/inchi/ichi.h

include/inchi/ichi_bns.h

include/inchi/ichi_io.h

include/inchi/ichicano.h

include/inchi/ichicant.h

include/inchi/ichicomn.h

include/inchi/ichicomp.h

include/inchi/ichidrp.h

include/inchi/ichierr.h

include/inchi/ichimain.h

include/inchi/ichimake.h

include/inchi/ichinorm.h

include/inchi/ichiparm.h

include/inchi/ichiring.h

include/inchi/ichirvrs.h

include/inchi/ichisize.h

include/inchi/ichister.h

include/inchi/ichitaut.h

include/inchi/ichitime.h

include/inchi/ikey_base26.h

include/inchi/inchi_api.h

include/inchi/inchi_dll_a.h

include/inchi/inchi_dll_main.h

include/inchi/inchicmp.h

include/inchi/incomdef.h

include/inchi/inpdef.h

include/inchi/lreadmol.h

include/inchi/mode.h

include/inchi/sha2.h

include/inchi/strutil.h

include/inchi/util.h

include/inchi103/

include/inchi103/aux2atom.h

include/inchi103/extr_ct.h

include/inchi103/ichi.h

include/inchi103/ichi_bns.h

include/inchi103/ichi_io.h

include/inchi103/ichicano.h

include/inchi103/ichicant.h

include/inchi103/ichicomn.h

include/inchi103/ichicomp.h

include/inchi103/ichidrp.h

include/inchi103/ichierr.h

include/inchi103/ichimain.h

include/inchi103/ichimake.h

include/inchi103/ichinorm.h

include/inchi103/ichiparm.h

include/inchi103/ichiring.h

include/inchi103/ichirvrs.h

include/inchi103/ichisize.h

include/inchi103/ichister.h

include/inchi103/ichitaut.h

include/inchi103/ichitime.h

include/inchi103/ikey_base26.h

include/inchi103/inchi_api.h

include/inchi103/inchi_dll_a.h

include/inchi103/inchi_dll_main.h

include/inchi103/inchicmp.h

include/inchi103/incomdef.h

include/inchi103/inpdef.h

include/inchi103/lreadmol.h

include/inchi103/mode.h

include/inchi103/sha2.h

include/inchi103/strutil.h

include/inchi103/util.h

include/inchi_api.h

include/libxml/pattern.h

include/openbabel/atom.h

include/openbabel/conformersearch.h

include/openbabel/depict/asciipainter.h

include/openbabel/depict/cairopainter.h

include/openbabel/depict/depict.h

include/openbabel/depict/painter.h

include/openbabel/descriptor.h

include/openbabel/forcefield.h

include/openbabel/format.h

include/openbabel/obconversion.h

include/openbabel/obiter.h

include/openbabel/op.h

include/openbabel/plugin.h

include/openbabel/query.h

include/openbabel/rotor.h

include/openbabel/stereo/bindings.h

scripts/CMakeLists.txt

scripts/csharp/openbabel-csharp.cpp

scripts/java/openbabel-java.cpp

scripts/java/openbabel.jar

scripts/openbabel-csharp.i

scripts/openbabel-java.i

scripts/openbabel-perl.i

scripts/openbabel-python.i

scripts/perl/OpenBabel.pm

scripts/perl/openbabel-perl.cpp

scripts/python/examples/dalke_test.py

scripts/python/examples/testpybel.py

scripts/python/openbabel-python.cpp

scripts/python/openbabel.py

scripts/python/pybel.py

scripts/python/pybel_py2x.py

scripts/python/pybel_py3x.py

scripts/python/setup.py

scripts/stereo.i

src/CMakeLists.txt

src/GUI/OBGUI.cpp

src/GUI/OBGUI.h

src/GUI/optswx.cpp

src/bondtyper.cpp

src/builder.cpp

src/charges/eem.cpp

src/charges/qeq.cpp

src/charges/qtpie.cpp

src/conformersearch.cpp

src/depict/asciipainter.cpp

src/depict/cairopainter.cpp

src/depict/depict.cpp

src/depict/svgpainter.cpp

src/descriptor.cpp

src/descriptors/cansmidescriptor.cpp

src/descriptors/cmpdfilter.cpp

src/descriptors/groupcontrib.cpp

src/fingerprints/finger2.cpp

src/fingerprints/finger3.cpp

src/forcefield.cpp

src/forcefields/forcefieldgaff.h

src/forcefields/forcefieldghemical.cpp

src/forcefields/forcefieldghemical.h

src/forcefields/forcefieldmmff94.cpp

src/forcefields/forcefieldmmff94.h

src/forcefields/forcefielduff.cpp

src/forcefields/forcefielduff.h

src/formats/CMakeLists.txt

src/formats/MCDLformat.cpp

src/formats/abinitformat.cpp

src/formats/acesformat.cpp

src/formats/acrformat.cpp

src/formats/adfformat.cpp

src/formats/asciiformat.cpp

src/formats/chemdrawcdx.cpp

src/formats/chemkinformat.cpp

src/formats/cifformat.cpp

src/formats/crystal09format.cpp

src/formats/fastsearchformat.cpp

src/formats/formats.cmake

src/formats/fpsformat.cpp

src/formats/gamessformat.cpp

src/formats/gausscubeformat.cpp

src/formats/gaussformat.cpp

src/formats/gausszmatformat.cpp

src/formats/genbankformat.cpp

src/formats/groformat.cpp

src/formats/gulpformat.cpp

src/formats/inchi103/

src/formats/inchi103/CMakeLists.txt

src/formats/inchi103/ichi_bns.c

src/formats/inchi103/ichi_io.c

src/formats/inchi103/ichican2.c

src/formats/inchi103/ichicano.c

src/formats/inchi103/ichicans.c

src/formats/inchi103/ichiisot.c

src/formats/inchi103/ichilnct.c

src/formats/inchi103/ichimak2.c

src/formats/inchi103/ichimake.c

src/formats/inchi103/ichimap1.c

src/formats/inchi103/ichimap2.c

src/formats/inchi103/ichimap4.c

src/formats/inchi103/ichinorm.c

src/formats/inchi103/ichiparm.c

src/formats/inchi103/ichiprt1.c

src/formats/inchi103/ichiprt2.c

src/formats/inchi103/ichiprt3.c

src/formats/inchi103/ichiqueu.c

src/formats/inchi103/ichiread.c

src/formats/inchi103/ichiring.c

src/formats/inchi103/ichirvr1.c

src/formats/inchi103/ichirvr2.c

src/formats/inchi103/ichirvr3.c

src/formats/inchi103/ichirvr4.c

src/formats/inchi103/ichirvr5.c

src/formats/inchi103/ichirvr6.c

src/formats/inchi103/ichirvr7.c

src/formats/inchi103/ichisort.c

src/formats/inchi103/ichister.c

src/formats/inchi103/ichitaut.c

src/formats/inchi103/ikey_base26.c

src/formats/inchi103/ikey_dll.c

src/formats/inchi103/inchi_dll.c

src/formats/inchi103/inchi_dll_a.c

src/formats/inchi103/inchi_dll_a2.c

src/formats/inchi103/inchi_dll_main.c

src/formats/inchi103/runichi.c

src/formats/inchi103/sha2.c

src/formats/inchi103/strutil.c

src/formats/inchi103/util.c

src/formats/inchiformat.cpp

src/formats/libinchi/

src/formats/libinchi/CMakeLists.txt

src/formats/libinchi/ichi_bns.c

src/formats/libinchi/ichi_io.c

src/formats/libinchi/ichican2.c

src/formats/libinchi/ichicano.c

src/formats/libinchi/ichicans.c

src/formats/libinchi/ichiisot.c

src/formats/libinchi/ichilnct.c

src/formats/libinchi/ichimak2.c

src/formats/libinchi/ichimake.c

src/formats/libinchi/ichimap1.c

src/formats/libinchi/ichimap2.c

src/formats/libinchi/ichimap4.c

src/formats/libinchi/ichinorm.c

src/formats/libinchi/ichiparm.c

src/formats/libinchi/ichiprt1.c

src/formats/libinchi/ichiprt2.c

src/formats/libinchi/ichiprt3.c

src/formats/libinchi/ichiqueu.c

src/formats/libinchi/ichiread.c

src/formats/libinchi/ichiring.c

src/formats/libinchi/ichirvr1.c

src/formats/libinchi/ichirvr2.c

src/formats/libinchi/ichirvr3.c

src/formats/libinchi/ichirvr4.c

src/formats/libinchi/ichirvr5.c

src/formats/libinchi/ichirvr6.c

src/formats/libinchi/ichirvr7.c

src/formats/libinchi/ichisort.c

src/formats/libinchi/ichister.c

src/formats/libinchi/ichitaut.c

src/formats/libinchi/ikey_base26.c

src/formats/libinchi/ikey_dll.c

src/formats/libinchi/inchi_dll.c

src/formats/libinchi/inchi_dll_a.c

src/formats/libinchi/inchi_dll_a2.c

src/formats/libinchi/inchi_dll_main.c

src/formats/libinchi/runichi.c

src/formats/libinchi/sha2.c

src/formats/libinchi/strutil.c

src/formats/libinchi/util.c

src/formats/lmpdatformat.cpp

src/formats/mdlformat.cpp

src/formats/mmcifformat.cpp

src/formats/mmodformat.cpp

src/formats/mol2format.cpp

src/formats/moldenformat.cpp

src/formats/mopacformat.cpp

src/formats/msiformat.cpp

src/formats/opendxformat.cpp

src/formats/outformat.cpp

src/formats/pdbformat.cpp

src/formats/png2format.cpp

src/formats/pngformat.cpp

src/formats/posformat.cpp

src/formats/pqrformat.cpp

src/formats/rsmiformat.cpp

src/formats/rxnformat.cpp

src/formats/smilesformat.cpp

src/formats/svgformat.cpp

src/formats/thermoformat.cpp

src/formats/tinkerformat.cpp

src/formats/vaspformat.cpp

src/formats/xml/cmlformat.cpp

src/formats/xml/cmlreactformat.cpp

src/generic.cpp

src/graphsym.cpp

src/isomorphism.cpp

src/kekulize.cpp

src/math/align.cpp

src/math/spacegroup.cpp

src/math/vector3.cpp

src/mcdlutil.cpp

src/obconversion.cpp

src/obmolecformat.cpp

src/ops/fillUC.cpp

src/ops/gen3d.cpp

src/ops/largest.cpp

src/ops/opalign.cpp

src/ops/ophighlight.cpp

src/ops/opisomorph.cpp

src/ops/opisomorph.h

src/ops/optransform.cpp

src/parsmart.cpp

src/phmodel.cpp

src/spectrophore.cpp

src/stereo/perception.cpp

src/stereo/stereo.cpp

src/stereo/tetrahedral.cpp

src/transform.cpp

test/CMakeLists.txt

test/aligntest.cpp

test/buildertest.cpp

test/ffmmff94.cpp

test/files/attype.00.smi

test/files/formalchargeresults.txt

test/files/formularesults.txt

test/files/ringresults.txt

test/files/smartsresults.txt

test/files/testsym_2Dtests.sdf

test/files/testsym_2Dtests_more.sdf

test/files/testsym_2Dtests_threeligands.sdf

test/formula.cpp

test/iterators.cpp

test/shuffletest.cpp

test/stereoperceptiontest.cpp

test/testbindings.py

test/testsym.py

test/uniqueidtest.cpp

tools/CMakeLists.txt

tools/babel.cpp

tools/obabel.cpp

tools/obgrep.cpp

tools/obminimize.cpp

tools/obrms.cpp

tools/obrotamer.cpp

tools/obrotate.cpp

tools/obspectrophore.cpp

windows-vc2008/

windows-vc2008/Distribution/

windows-vc2008/Distribution/ExampleFiles/

windows-vc2008/Distribution/ExampleFiles/150mols.smi

windows-vc2008/Distribution/ExampleFiles/FourSmallMols.cml

windows-vc2008/Distribution/ExampleFiles/oxamide.cml

windows-vc2008/Distribution/ExampleFiles/serotonin.mol

windows-vc2008/Distribution/NSISScriptToCreateInstaller.nsi

windows-vc2008/Distribution/OBDotNetAssemblyInfo.cs

windows-vc2008/Distribution/Python/

windows-vc2008/Distribution/Python/a_obpython.bat

windows-vc2008/Distribution/Python/b_obpython.bat

windows-vc2008/Distribution/Python/logo.bmp

windows-vc2008/Distribution/Python/setup.py

windows-vc2008/Distribution/ToolsPrograms.txt

windows-vc2008/Distribution/logo_big.bmp

windows-vc2008/Distribution/logo_small.bmp

windows-vc2008/Distribution/obdotnet.snk

windows-vc2008/default_build.bat

windows-vc2008/include/

windows-vc2008/include/cairo/

windows-vc2008/include/cairo/cairo-deprecated.h

windows-vc2008/include/cairo/cairo-features.h

windows-vc2008/include/cairo/cairo-ft.h

windows-vc2008/include/cairo/cairo-gobject.h

windows-vc2008/include/cairo/cairo-pdf.h

windows-vc2008/include/cairo/cairo-ps.h

windows-vc2008/include/cairo/cairo-script-interpreter.h

windows-vc2008/include/cairo/cairo-svg.h

windows-vc2008/include/cairo/cairo-version.h

windows-vc2008/include/cairo/cairo-win32.h

windows-vc2008/include/cairo/cairo.h

windows-vc2008/include/inttypes.h

windows-vc2008/include/rpc/

windows-vc2008/include/rpc/types.h

windows-vc2008/include/rpc/xdr.h

windows-vc2008/include/stdint.h

windows-vc2008/libs/

windows-vc2008/libs/i386/

windows-vc2008/libs/i386/cairo.lib

windows-vc2008/libs/i386/env.bat

windows-vc2008/libs/i386/libinchi.lib

windows-vc2008/libs/i386/libxml2.lib

windows-vc2008/libs/i386/readme.txt

windows-vc2008/libs/i386/xdr.lib

windows-vc2008/libs/i386/zlib1.lib

windows-vc2008/libs/x64/

windows-vc2008/libs/x64/env.bat

windows-vc2008/libs/x64/libstdinchi.lib

windows-vc2008/libs/x64/libxml2.lib

windows-vc2008/libs/x64/readme.txt

windows-vc2008/libs/x64/zlib1.lib

windows-vc2008/minimal_build.bat

windows-vc2008/obdepict.bat

windows-vc2008/sdf.bat

windows-vc2008/x64_default_build.bat

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