"Fossies" - the Fresh Open Source Software Archive  

Source code changes report for "Open Babel" between the packages
openbabel-2.3.2.tar.gz and openbabel-2.4.1.tar.gz

About: Open Babel is a chemical toolbox designed to speak the many languages of chemical data. It’s an open, collaborative project allowing anyone to search, convert, analyze, or store data from molecular modeling, chemistry, solid-state materials, biochemistry, or related areas.

Summary:

The "Open Babel" source code changed by about 49.6% and now consists of 3524 files.

Related Informations:

None found by Fossies.

Changes In Files (According File Type):

File TypeTotalAddedRemovedChanged
Header file 226 14 15 53
C program 56 4 0 39
C++ program 358 46 3 183
DLL library 15 0 15 0
Java program 1 0 0 0
Perl module 2 0 0 1
Perl program 6 0 1 0
Python program 21 2 1 6
Shell program 8 0 0 0
C# program 2 1 1 0
Java class 1 0 1 0
PHP program 3 3 0 0
Python compiled program 3 0 0 3
Ruby program 3 0 0 1
Automake file 3 1 0 0
CMake file 23 0 0 14
JavaScript file 216 214 0 2
Makefile 1 0 0 1
Man page 16 0 0 0
Manifest file 2 0 1 1
Perl test program 8 0 0 0
SGML document 1 0 0 0
XML document 7 1 2 1
CSS style sheet 3 0 0 3
Desktop file 1 1 0 0
DOS Batch file 12 0 9 0
Doxygen file 2 0 1 1
Git file 1 1 0 0
HTML page 1432 382 425 604
Include file 2 0 0 2
MD5 Checksum file 153 0 153 0
Molecule spec file 2 0 0 0
NSIS script 1 0 1 0
Parameter file 20 0 0 1
Resource file 1 0 0 0
TeX document 2 1 1 0
XML style sheet 1 0 0 0
YAML file 2 1 0 1
Data file 5 1 1 0
Icon 1 0 0 0
Image file 310 22 167 89
X Pixmap file 1 0 0 0
Directory 71 11 10 0
Archive 18 7 8 1
Change log 5 1 3 0
Information file 6 2 0 2
License 2 0 0 0
Readme file 17 4 4 2
Text file 471 24 156 20
Total Files35247449791031



Header Files (82 of 226):

NameStatusDeltaVisual Diff
data/aromatic.h changed 81.6% diff
data/atomtyp.h changed 60.8% diff
data/bondtyp.h changed 69.2% diff
data/chemdrawcdx.h added
data/element.h changed 18.4% diff
data/phmodeldata.h changed 62.8% diff
data/torlib.h changed 98.9% diff
include/inchi/aux2atom.h changed 1.1% diff
include/inchi/ichiparm.h changed 0.3% diff
include/inchi/ichisize.h changed 1.4% diff
include/libxml/xmlexports.h changed 1.4% diff
include/openbabel/alias.h changed 2.1% diff
include/openbabel/atom.h changed 5.6% diff
include/openbabel/bitvec.h changed 5.5% diff
include/openbabel/bond.h changed 2.3% diff
include/openbabel/builder.h changed 5.9% diff
include/openbabel/chargemodel.h changed 3.3% diff
include/openbabel/conformersearch.h changed 37.2% diff
include/openbabel/data.h changed 34.1% diff
include/openbabel/data_utilities.h added
include/openbabel/depict/asciipainter.h changed 10.1% diff
include/openbabel/depict/cairopainter.h changed 37.3% diff
include/openbabel/depict/commandpainter.h added
include/openbabel/depict/depict.h changed 6.5% diff
include/openbabel/depict/painter.h changed 17.7% diff
include/openbabel/depict/svgpainter.h changed 30.9% diff
include/openbabel/distgeom.h added
include/openbabel/forcefield.h changed 4.4% diff
include/openbabel/format.h changed 0.05% diff
include/openbabel/generic.h changed 9.7% diff
include/openbabel/groupcontrib.h changed 3.4% diff
include/openbabel/inchiformat.h changed 0.5% diff
include/openbabel/json/customwriter.h added
include/openbabel/json/json-forwards.h added
include/openbabel/json/json.h added
include/openbabel/lineend.h changed 26.4% diff
include/openbabel/math/align.h changed 3.6% diff
include/openbabel/math/spacegroup.h changed 7.5% diff
include/openbabel/math/vector3.h changed 5.9% diff
include/openbabel/mol.h changed 5.8% diff
include/openbabel/obconversion.h changed 19.3% diff
include/openbabel/obmolecformat.h changed 4.6% diff
include/openbabel/obutil.h changed 0.6% diff
include/openbabel/parsmart.h changed 5.5% diff
include/openbabel/plugin.h changed 7.5% diff
include/openbabel/pointgroup.h changed 64.0% diff
include/openbabel/reaction.h changed 18.7% diff
include/openbabel/residue.h changed 4.0% diff
include/openbabel/rotamer.h changed 5.7% diff
include/openbabel/rotor.h changed 7.6% diff
include/openbabel/shared_ptr.h changed 26.1% diff
include/openbabel/stereo/stereo.h changed 1.5% diff
include/openbabel/tautomer.h added
include/openbabel/tree/tree.hh added
include/openbabel/tree/tree_util.hh added
include/openbabel/typer.h changed 1.6% diff
scripts/php/php_openbabel.h added
src/charges/eqeq.h added
src/forcefields/forcefielduff.h changed 1.3% diff
src/formats/mdlvalence.h added
src/formats/smiley.h added
src/GUI/OBGUI.h changed 1.6% diff
src/ops/deferred.h changed 3.0% diff
src/ops/opisomorph.h changed 26.5% diff
src/zipstream.h changed 1.3% diff
src/zipstreamimpl.h changed 2.6% diff
test/obtest.h changed 18.2% diff
windows-vc2008/include/cairo/cairo-deprecated.h removed
windows-vc2008/include/cairo/cairo-features.h removed
windows-vc2008/include/cairo/cairo-ft.h removed
windows-vc2008/include/cairo/cairo-gobject.h removed
windows-vc2008/include/cairo/cairo-pdf.h removed
windows-vc2008/include/cairo/cairo-ps.h removed
windows-vc2008/include/cairo/cairo-script-interpreter.h removed
windows-vc2008/include/cairo/cairo-svg.h removed
windows-vc2008/include/cairo/cairo-version.h removed
windows-vc2008/include/cairo/cairo-win32.h removed
windows-vc2008/include/cairo/cairo.h removed
windows-vc2008/include/inttypes.h removed
windows-vc2008/include/rpc/types.h removed
windows-vc2008/include/rpc/xdr.h removed
windows-vc2008/include/stdint.h removed

C Programs (43 of 56):

NameStatusDeltaVisual Diff
scripts/openbabel-csharp.i changed 3.0% diff
scripts/openbabel-java.i changed 5.8% diff
scripts/openbabel-mono.i changed 3.7% diff
scripts/openbabel-perl.i changed 9.3% diff
scripts/openbabel-php.i added
scripts/openbabel-python.i changed 6.9% diff
scripts/openbabel-R.i added
scripts/openbabel-ruby.i changed 9.0% diff
scripts/scala/OBTest.scala added
src/formats/libinchi/ichi_bns.c changed 0.6% diff
src/formats/libinchi/ichi_io.c changed 0.2% diff
src/formats/libinchi/ichican2.c changed 1.1% diff
src/formats/libinchi/ichicano.c changed 0.6% diff
src/formats/libinchi/ichicans.c changed 0.4% diff
src/formats/libinchi/ichilnct.c changed 1.3% diff
src/formats/libinchi/ichimak2.c changed 1.9% diff
src/formats/libinchi/ichimake.c changed 3.4% diff
src/formats/libinchi/ichimap1.c changed 2.7% diff
src/formats/libinchi/ichimap2.c changed 1.8% diff
src/formats/libinchi/ichimap4.c changed 1.4% diff
src/formats/libinchi/ichiprt1.c changed 2.4% diff
src/formats/libinchi/ichiprt2.c changed 1.0% diff
src/formats/libinchi/ichiprt3.c changed 0.3% diff
src/formats/libinchi/ichiqueu.c changed 2.6% diff
src/formats/libinchi/ichiread.c changed 2.2% diff
src/formats/libinchi/ichiring.c changed 0.4% diff
src/formats/libinchi/ichirvr1.c changed 0.9% diff
src/formats/libinchi/ichirvr2.c changed 4.2% diff
src/formats/libinchi/ichirvr3.c changed 7.1% diff
src/formats/libinchi/ichirvr4.c changed 2.5% diff
src/formats/libinchi/ichirvr5.c changed 6.0% diff
src/formats/libinchi/ichirvr6.c changed 5.1% diff
src/formats/libinchi/ichirvr7.c changed 1.3% diff
src/formats/libinchi/ichisort.c changed 1.5% diff
src/formats/libinchi/ichister.c changed 1.2% diff
src/formats/libinchi/ichitaut.c changed 2.0% diff
src/formats/libinchi/inchi_dll.c changed 1.5% diff
src/formats/libinchi/inchi_dll_a.c changed 0.3% diff
src/formats/libinchi/inchi_dll_a2.c changed 2.5% diff
src/formats/libinchi/runichi.c changed 0.5% diff
src/formats/libinchi/strutil.c changed 1.4% diff
src/formats/libinchi/util.c changed 0.7% diff
src/memcpy.c added

C++ Programs (232 of 358):

NameStatusDeltaVisual Diff
scripts/csharp/openbabel-csharp.cpp removed
scripts/java/openbabel-java.cpp changed 100.0% diff
scripts/perl/openbabel-perl.cpp changed skipped
scripts/php/openbabel-php.cpp added
scripts/python/openbabel-python.cpp changed skipped
scripts/R/examples/openbabelR/src/openbabel-R.cpp added
scripts/R/openbabel-R.cpp added
scripts/ruby/openbabel-ruby.cpp changed skipped
src/alias.cpp changed 0.8% diff
src/atom.cpp changed 19.7% diff
src/bitvec.cpp changed 0.3% diff
src/bond.cpp changed 8.2% diff
src/bondtyper.cpp changed 8.3% diff
src/builder.cpp changed 3.5% diff
src/canon.cpp changed 0.8% diff
src/chains.cpp changed 0.3% diff
src/charges/eem.cpp changed 38.6% diff
src/charges/eqeq.cpp added
src/charges/fromfile.cpp added
src/charges/qeq.cpp changed 2.1% diff
src/charges/qtpie.cpp changed 0.9% diff
src/conformersearch.cpp changed 100.0% diff
src/confsearch.cpp added
src/data.cpp changed 20.5% diff
src/data_utilities.cpp added
src/depict/asciipainter.cpp changed 4.9% diff
src/depict/cairopainter.cpp changed 28.6% diff
src/depict/commandpainter.cpp added
src/depict/depict.cpp changed 41.7% diff
src/depict/svgpainter.cpp changed 51.1% diff
src/descriptor.cpp changed 0.7% diff
src/descriptors/filters.cpp changed 3.4% diff
src/descriptors/groupcontrib.cpp changed 28.9% diff
src/descriptors/smartsdescriptors.cpp changed 64.9% diff
src/distgeom.cpp added
src/dlhandler_unix.cpp changed 1.2% diff
src/fingerprint.cpp changed 0.2% diff
src/fingerprints/finger2.cpp changed 1.7% diff
src/fingerprints/finger3.cpp changed 0.03% diff
src/fingerprints/fingerecfp.cpp added
src/forcefield.cpp changed 6.9% diff
src/forcefields/forcefieldgaff.cpp changed 0.5% diff
src/forcefields/forcefieldghemical.cpp changed 0.4% diff
src/forcefields/forcefieldmm2.cpp changed 0.6% diff
src/forcefields/forcefieldmmff94.cpp changed 1.8% diff
src/forcefields/forcefielduff.cpp changed 8.2% diff
src/formats/abinitformat.cpp changed 18.0% diff
src/formats/alchemyformat.cpp changed 0.9% diff
src/formats/aoforceformat.cpp added
src/formats/asciiformat.cpp changed 3.6% diff
src/formats/balstformat.cpp changed 1.0% diff
src/formats/bgfformat.cpp changed 1.2% diff
src/formats/boxformat.cpp changed 1.0% diff
src/formats/cacaoformat.cpp changed 0.4% diff
src/formats/carformat.cpp changed 15.9% diff
src/formats/cccformat.cpp changed 1.3% diff
src/formats/chemdrawcdx.cpp changed 95.6% diff
src/formats/chemkinformat.cpp changed 2.5% diff
src/formats/cifformat.cpp changed 20.9% diff
src/formats/confabreport.cpp added
src/formats/crystal09format.cpp changed 2.3% diff
src/formats/daltonformat.cpp added
src/formats/dlpolyformat.cpp changed 1.1% diff
src/formats/exyzformat.cpp added
src/formats/fastsearchformat.cpp changed 9.8% diff
src/formats/fchkformat.cpp changed 20.1% diff
src/formats/gamessformat.cpp changed 84.8% diff
src/formats/gamessukformat.cpp changed 0.2% diff
src/formats/gaussformat.cpp changed 63.1% diff
src/formats/ghemicalformat.cpp changed 1.6% diff
src/formats/inchiformat.cpp changed 2.8% diff
src/formats/jaguarformat.cpp changed 28.2% diff
src/formats/json/chemdoodlejsonformat.cpp added
src/formats/json/customwriter.cpp added
src/formats/json/jsoncpp.cpp added
src/formats/json/pubchemjsonformat.cpp added
src/formats/lpmdformat.cpp added
src/formats/MCDLformat.cpp changed 0.3% diff
src/formats/mdffformat.cpp added
src/formats/mdlformat.cpp changed 28.9% diff
src/formats/mmcifformat.cpp changed 22.0% diff
src/formats/mol2format.cpp changed 25.8% diff
src/formats/moldenformat.cpp changed 39.6% diff
src/formats/mopacformat.cpp changed 14.4% diff
src/formats/nwchemformat.cpp changed 100.0% diff
src/formats/orcaformat.cpp added
src/formats/outformat.cpp changed 8.2% diff
src/formats/painterformat.cpp added
src/formats/pdbformat.cpp changed 12.4% diff
src/formats/pdbqtformat.cpp changed 18.8% diff
src/formats/png2format.cpp changed 14.7% diff
src/formats/pngformat.cpp changed 3.7% diff
src/formats/pointcloudformat.cpp added
src/formats/povrayformat.cpp changed 0.1% diff
src/formats/pqrformat.cpp changed 3.4% diff
src/formats/pwscfformat.cpp changed 8.5% diff
src/formats/rsmiformat.cpp changed 3.0% diff
src/formats/rxnformat.cpp changed 1.0% diff
src/formats/siestaformat.cpp added
src/formats/smilesformat.cpp changed 2.8% diff
src/formats/smileyformat.cpp added
src/formats/stlformat.cpp added
src/formats/svgformat.cpp changed 38.9% diff
src/formats/textformat.cpp changed 1.0% diff
src/formats/thermoformat.cpp changed 1.2% diff
src/formats/tinkerformat.cpp changed 0.1% diff
src/formats/turbomoleformat.cpp changed 1.1% diff
src/formats/vaspformat.cpp changed 34.2% diff
src/formats/xml/cdxmlformat.cpp changed 3.1% diff
src/formats/xml/cmlformat.cpp changed 0.4% diff
src/formats/xml/cmlreactformat.cpp changed 1.8% diff
src/formats/xml/xml.cpp changed 2.5% diff
src/formats/xtcformat.cpp changed 0.3% diff
src/formats/yasaraformat.cpp changed 0.9% diff
src/generic.cpp changed 11.0% diff
src/graphsym.cpp changed 2.0% diff
src/GUI/OBGUI.cpp changed 5.0% diff
src/isomorphism.cpp changed 0.4% diff
src/kekulize.cpp changed 6.0% diff
src/math/align.cpp changed 45.1% diff
src/math/spacegroup.cpp changed 21.1% diff
src/math/vector3.cpp changed 3.6% diff
src/mcdlutil.cpp changed 2.5% diff
src/mol.cpp changed 20.6% diff
src/obconversion.cpp changed 21.5% diff
src/obmolecformat.cpp changed 0.6% diff
src/obutil.cpp changed 5.3% diff
src/ops/addnonpolarh.cpp added
src/ops/addpolarh.cpp changed 2.2% diff
src/ops/changecell.cpp added
src/ops/conformer.cpp changed 30.4% diff
src/ops/delnonpolarh.cpp added
src/ops/delpolarh.cpp added
src/ops/fillUC.cpp changed 36.1% diff
src/ops/forcefield.cpp changed 6.6% diff
src/ops/gen3d.cpp changed 100.0% diff
src/ops/loader.cpp changed 12.0% diff
src/ops/opalign.cpp changed 1.3% diff
src/ops/opconfab.cpp added
src/ops/ophighlight.cpp changed 1.7% diff
src/ops/opisomorph.cpp changed 28.5% diff
src/ops/opsplit.cpp added
src/ops/partialcharges.cpp changed 41.5% diff
src/ops/sort.cpp changed 2.9% diff
src/ops/unique.cpp changed 15.5% diff
src/ops/xout.cpp changed 5.7% diff
src/parsmart.cpp changed 32.5% diff
src/patty.cpp changed 1.7% diff
src/plugin.cpp changed 18.1% diff
src/pointgroup.cpp changed 100.0% diff
src/residue.cpp changed 1.1% diff
src/ring.cpp changed 11.7% diff
src/rotamer.cpp changed 26.4% diff
src/rotor.cpp changed 21.3% diff
src/spectrophore.cpp changed 0.1% diff
src/stereo/perception.cpp changed 3.2% diff
src/tautomer.cpp added
src/transform.cpp changed 2.4% diff
src/typer.cpp changed 1.2% diff
test/aligntest.cpp changed 27.6% diff
test/aromatest.cpp changed 36.6% diff
test/atom.cpp changed 56.3% diff
test/automorphismtest.cpp changed 88.3% diff
test/bond.cpp changed 33.0% diff
test/buildertest.cpp changed 34.5% diff
test/canonconsistenttest.cpp changed 33.5% diff
test/canonstabletest.cpp changed 48.6% diff
test/cansmi.cpp changed 54.3% diff
test/carspacegrouptest.cpp added
test/charge-gasteiger.cpp renamed 62.2% diff
test/charge_gasteiger.cpp
test/charge-mmff94.cpp renamed 47.3% diff
test/charge_mmff94.cpp
test/cifspacegrouptest.cpp added
test/cistranstest.cpp changed 7.8% diff
test/cmlreadfile.cpp changed 9.6% diff
test/conversion.cpp changed 9.2% diff
test/datatest.cpp changed 17.8% diff
test/ffgaff.cpp changed 21.1% diff
test/ffghemical.cpp changed 20.4% diff
test/ffmmff94.cpp changed 22.4% diff
test/ffuff.cpp changed 19.2% diff
test/formalcharge.cpp changed 27.8% diff
test/format.cpp changed 14.3% diff
test/formula.cpp changed 13.3% diff
test/graphsymtest.cpp changed 67.0% diff
test/gziptest.cpp added
test/implicitHtest.cpp changed 15.1% diff
test/internalcoord.cpp changed 18.3% diff
test/invalidsmarts.cpp changed 29.1% diff
test/invalidsmiles.cpp changed 17.6% diff
test/isomorphismtest.cpp changed 14.8% diff
test/iterators.cpp changed 12.2% diff
test/logp_psa.cpp changed 9.0% diff
test/lssrtest.cpp changed 32.7% diff
test/math.cpp changed 6.6% diff
test/mol.cpp changed 30.0% diff
test/multicmltest.cpp added
test/obtest.cpp added
test/phmodel.cpp changed 2.4% diff
test/regressionstest.cpp added
test/residue.cpp changed 4.5% diff
test/ringtest.cpp changed 16.0% diff
test/rotortest.cpp changed 23.9% diff
test/shuffletest.cpp changed 65.1% diff
test/smartsparse.cpp changed 24.7% diff
test/smartstest.cpp changed 19.2% diff
test/smilesmatch.cpp changed 17.9% diff
test/smilestest.cpp changed 16.4% diff
test/smileytest.cpp added
test/spectrophoretest.cpp changed 2.7% diff
test/squareplanartest.cpp changed 10.5% diff
test/stereoperceptiontest.cpp changed 73.4% diff
test/stereotest.cpp changed 4.0% diff
test/tautomertest.cpp added
test/tetrahedraltest.cpp changed 10.6% diff
test/tetranonplanartest.cpp changed 22.8% diff
test/tetraplanartest.cpp changed 1.9% diff
test/uniqueidtest.cpp changed 14.0% diff
test/unitcell.cpp changed 6.1% diff
tools/babel.cpp changed 3.1% diff
tools/obabel.cpp changed 1.2% diff
tools/obconformer.cpp changed 11.5% diff
tools/obdistgen.cpp added
tools/obenergy.cpp changed 1.3% diff
tools/obgen.cpp changed 13.5% diff
tools/obgrep.cpp changed 0.1% diff
tools/obminimize.cpp changed 2.9% diff
tools/obmm.cpp changed 0.7% diff
tools/obprobe.cpp changed 0.3% diff
tools/obprop.cpp changed 1.2% diff
tools/obrotate.cpp changed 1.3% diff
tools/obsym.cpp changed 58.3% diff
tools/obtautomer.cpp added
tools/obthermo.cpp added

DLL Libraries (all 15):

NameStatusDeltaVisual Diff
scripts/csharp/OBDotNet.dll removed
windows-vc2008/libs/i386/freetype6.dll removed
windows-vc2008/libs/i386/iconv.dll removed
windows-vc2008/libs/i386/libcairo-2.dll removed
windows-vc2008/libs/i386/libexpat-1.dll removed
windows-vc2008/libs/i386/libfontconfig-1.dll removed
windows-vc2008/libs/i386/libinchi.dll removed
windows-vc2008/libs/i386/libpng14-14.dll removed
windows-vc2008/libs/i386/libxml2.dll removed
windows-vc2008/libs/i386/xdr-0.dll removed
windows-vc2008/libs/i386/zlib1.dll removed
windows-vc2008/libs/x64/libiconv.dll removed
windows-vc2008/libs/x64/libinchi.dll removed
windows-vc2008/libs/x64/libxml2.dll removed
windows-vc2008/libs/x64/zlib1.dll removed

Perl Modules (1 of 2):

NameStatusDeltaVisual Diff
scripts/perl/OpenBabel.pm changed 3.4% diff

Perl Programs (1 of 6):

NameStatusDeltaVisual Diff
doc/API/html/installdox removed

Python Programs (9 of 21):

NameStatusDeltaVisual Diff
scripts/python/examples/testpybel.py changed 2.2% diff
scripts/python/openbabel.py changed 83.2% diff
scripts/python/pybel.py changed 37.8% diff
scripts/python/setup.py changed 100.0% diff
test/testfastsearch.py changed 7.0% diff
test/testkekule.py changed 1.5% diff
test/testpdbformat.py added
test/testsmartssym.py added
windows-vc2008/Distribution/Python/setup.py removed

C# Programs (all 2):

NameStatusDeltaVisual Diff
windows-vc2008/Distribution/OBDotNetAssemblyInfo.cs moved 14.8% diff
scripts/csharp/OBDotNetAssemblyInfo.cs

Java Classes (all 1):

NameStatusDeltaVisual Diff
scripts/java/OBTest.class removed

PHP Programs (all 3):

NameStatusDeltaVisual Diff
scripts/php/baphpel.php added
scripts/php/example/example1.php added
scripts/php/openbabel.php added

Python Compiled Programs (all 3):

NameStatusDeltaVisual Diff
scripts/python/examples/testpybel.pyc changed 0.004%
test/testbabel.pyc changed 0.02%
test/testbindings.pyc changed 12.4%

Ruby Programs (1 of 3):

NameStatusDeltaVisual Diff
scripts/ruby/extconf.rb changed 30.0% diff

Automake Files (1 of 3):

NameStatusDeltaVisual Diff
cmake/cmake_uninstall.cmake.in added

CMake Files (14 of 23):

NameStatusDeltaVisual Diff
cmake/modules/FindCairo.cmake changed 37.7% diff
cmake/modules/FindInchi.cmake changed 12.8% diff
cmake/modules/UsePythonTest.cmake changed 13.6% diff
CMakeLists.txt changed 23.7% diff
data/CMakeLists.txt changed 33.3% diff
doc/CMakeLists.txt changed 12.0% diff
include/CMakeLists.txt changed 19.8% diff
scripts/CMakeLists.txt changed 73.7% diff
src/CMakeLists.txt changed 9.9% diff
src/config.h.cmake changed 7.0% diff
src/formats/CMakeLists.txt changed 31.1% diff
src/formats/formats.cmake changed 9.7% diff
test/CMakeLists.txt changed 73.4% diff
tools/CMakeLists.txt changed 18.0% diff

JavaScript Files (all 216):

NameStatusDeltaVisual Diff
doc/API/html/dynsections.js added
doc/API/html/jquery.js changed 100.0% diff
doc/API/html/menu.js added
doc/API/html/menudata.js added
doc/API/html/search/all_0.js added
doc/API/html/search/all_1.js added
doc/API/html/search/all_10.js added
doc/API/html/search/all_11.js added
doc/API/html/search/all_12.js added
doc/API/html/search/all_13.js added
doc/API/html/search/all_14.js added
doc/API/html/search/all_15.js added
doc/API/html/search/all_16.js added
doc/API/html/search/all_17.js added
doc/API/html/search/all_18.js added
doc/API/html/search/all_19.js added
doc/API/html/search/all_1a.js added
doc/API/html/search/all_1b.js added
doc/API/html/search/all_2.js added
doc/API/html/search/all_3.js added
doc/API/html/search/all_4.js added
doc/API/html/search/all_5.js added
doc/API/html/search/all_6.js added
doc/API/html/search/all_7.js added
doc/API/html/search/all_8.js added
doc/API/html/search/all_9.js added
doc/API/html/search/all_a.js added
doc/API/html/search/all_b.js added
doc/API/html/search/all_c.js added
doc/API/html/search/all_d.js added
doc/API/html/search/all_e.js added
doc/API/html/search/all_f.js added
doc/API/html/search/classes_0.js added
doc/API/html/search/classes_1.js added
doc/API/html/search/classes_2.js added
doc/API/html/search/classes_3.js added
doc/API/html/search/classes_4.js added
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scripts/python/MANIFEST.in added
scripts/R/examples/openbabelR/R/init.R added
scripts/R/examples/openbabelR/src/Makevars added
scripts/R/examples/test.R added
src/locale.cpp.rej removed
test/files/canonstable.can changed 1.7% diff
test/files/charge-mmff94.txt changed 1.9% diff
test/files/dipole-mmff94.txt changed 5.8% diff
test/files/forcefield.sdf changed 0.1% diff
test/files/FormulaTest.smi changed 2.6% diff
test/files/gaffresults.txt changed 67.4% diff
test/files/gzip.in added
test/files/mmff94results.txt changed 12.2% diff
test/files/monoclinic.car added
test/files/regressiontest_numrotors.mol added
test/files/ringresults.txt changed 1.4% diff
test/files/smartsresults.txt changed 0.1% diff
test/files/test01.cif added
test/files/test02.cif added
test/files/test03.cif added
test/files/test1.car added
test/files/test2.car added
test/files/test3.car added
test/files/uffresults.txt changed 94.8% diff
windows-vc2008/Distribution/ExampleFiles/150mols.smi removed
windows-vc2008/Distribution/ExampleFiles/serotonin.mol removed
windows-vc2008/Distribution/ToolsPrograms.txt removed

Packages Compared:

openbabel-2.3.2.tar.gz
openbabel-2.4.1.tar.gz


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