openbabel-2.2.3-1.el6.x86_64.rpm


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Description

openbabel - Chemistry software file format converter

Property Value
Distribution CentOS 6
Repository EPEL x86_64
Package name openbabel
Package version 2.2.3
Package release 1.el6
Package architecture x86_64
Package type rpm
Installed size 7.30 MB
Download size 2.06 MB
Official Mirror dl.fedoraproject.org
Open Babel is a free, open-source version of the Babel chemistry file
translation program. Open Babel is a project designed to pick up where
Babel left off, as a cross-platform program and library designed to
interconvert between many file formats used in molecular modeling,
computational chemistry, and many related areas.
Open Babel includes two components, a command-line utility and a C++
library. The command-line utility is intended to be used as a replacement
for the original babel program, to translate between various chemical file
formats. The C++ library includes all of the file-translation code as well
as a wide variety of utilities to foster development of other open source
scientific software.

Alternatives

Package Version Architecture Repository
openbabel-2.2.3-1.el6.i686.rpm 2.2.3 i686 EPEL
openbabel-2.2.3-1.el6.i686.rpm 2.2.3 i686 EPEL
openbabel - - -

Requires

Name Value
/sbin/ldconfig -
libc.so.6(GLIBC_2.4)(64bit) -
libdl.so.2()(64bit) -
libdl.so.2(GLIBC_2.2.5)(64bit) -
libgcc_s.so.1()(64bit) -
libgcc_s.so.1(GCC_3.0)(64bit) -
libgcc_s.so.1(GCC_3.4)(64bit) -
libinchi.so.1()(64bit) -
libm.so.6()(64bit) -
libm.so.6(GLIBC_2.2.5)(64bit) -
libstdc++.so.6()(64bit) -
libstdc++.so.6(CXXABI_1.3)(64bit) -
libstdc++.so.6(GLIBCXX_3.4)(64bit) -
libstdc++.so.6(GLIBCXX_3.4.11)(64bit) -
libstdc++.so.6(GLIBCXX_3.4.5)(64bit) -
libstdc++.so.6(GLIBCXX_3.4.6)(64bit) -
libstdc++.so.6(GLIBCXX_3.4.9)(64bit) -
libxml2.so.2()(64bit) -
libxml2.so.2(LIBXML2_2.4.30)(64bit) -
libxml2.so.2(LIBXML2_2.5.0)(64bit) -
libxml2.so.2(LIBXML2_2.6.0)(64bit) -
libxml2.so.2(LIBXML2_2.6.5)(64bit) -
libz.so.1()(64bit) -
rtld(GNU_HASH) -

Provides

Name Value
APIInterface.so()(64bit) -
CSRformat.so()(64bit) -
MCDLformat.so()(64bit) -
PQSformat.so()(64bit) -
acrformat.so()(64bit) -
adfformat.so()(64bit) -
alchemyformat.so()(64bit) -
amberformat.so()(64bit) -
balstformat.so()(64bit) -
bgfformat.so()(64bit) -
boxformat.so()(64bit) -
cacaoformat.so()(64bit) -
cacheformat.so()(64bit) -
carformat.so()(64bit) -
cccformat.so()(64bit) -
cdxmlformat.so()(64bit) -
chem3dformat.so()(64bit) -
chemdrawcdxformat.so()(64bit) -
chemdrawctformat.so()(64bit) -
chemkinformat.so()(64bit) -
chemtoolformat.so()(64bit) -
cifformat.so()(64bit) -
cmlformat.so()(64bit) -
cmlreactformat.so()(64bit) -
copyformat.so()(64bit) -
crkformat.so()(64bit) -
cssrformat.so()(64bit) -
dmolformat.so()(64bit) -
fastaformat.so()(64bit) -
fastsearchformat.so()(64bit) -
fchkformat.so()(64bit) -
featformat.so()(64bit) -
fhformat.so()(64bit) -
fingerprintformat.so()(64bit) -
freefracformat.so()(64bit) -
gamessformat.so()(64bit) -
gamessukformat.so()(64bit) -
gausscubeformat.so()(64bit) -
gaussformat.so()(64bit) -
gausszmatformat.so()(64bit) -
ghemicalformat.so()(64bit) -
gromos96format.so()(64bit) -
hinformat.so()(64bit) -
inchiformat.so()(64bit) -
jaguarformat.so()(64bit) -
libopenbabel.so.3()(64bit) -
mdlformat.so()(64bit) -
mmcifformat.so()(64bit) -
mmodformat.so()(64bit) -
mol2format.so()(64bit) -
moldenformat.so()(64bit) -
molproformat.so()(64bit) -
molreportformat.so()(64bit) -
mopacformat.so()(64bit) -
mpdformat.so()(64bit) -
mpqcformat.so()(64bit) -
msiformat.so()(64bit) -
msmsformat.so()(64bit) -
nwchemformat.so()(64bit) -
openbabel = 2.2.3-1.el6
openbabel(x86-64) = 2.2.3-1.el6
opendxformat.so()(64bit) -
outformat.so()(64bit) -
pcmodelformat.so()(64bit) -
pdbformat.so()(64bit) -
pngformat.so()(64bit) -
povrayformat.so()(64bit) -
pqrformat.so()(64bit) -
pubchem.so()(64bit) -
qchemformat.so()(64bit) -
reportformat.so()(64bit) -
rsmiformat.so()(64bit) -
rxnformat.so()(64bit) -
shelxformat.so()(64bit) -
smilesformat.so()(64bit) -
thermoformat.so()(64bit) -
tinkerformat.so()(64bit) -
titleformat.so()(64bit) -
turbomoleformat.so()(64bit) -
unichemformat.so()(64bit) -
vaspformat.so()(64bit) -
viewmolformat.so()(64bit) -
xedformat.so()(64bit) -
xmlformat.so()(64bit) -
xtcformat.so()(64bit) -
xyzformat.so()(64bit) -
yasaraformat.so()(64bit) -
zindoformat.so()(64bit) -

Download

Type URL
Binary Package openbabel-2.2.3-1.el6.x86_64.rpm
Source Package openbabel-2.2.3-1.el6.src.rpm

Install Howto

  1. Download latest epel-release rpm from
    http://dl.fedoraproject.org/pub/epel/6/x86_64/
  2. Install epel-release rpm:
    # rpm -Uvh epel-release*rpm
  3. Install openbabel rpm package:
    # yum install openbabel

Files

Path
/usr/bin/babel
/usr/bin/obchiral
/usr/bin/obconformer
/usr/bin/obenergy
/usr/bin/obfit
/usr/bin/obgen
/usr/bin/obgrep
/usr/bin/obminimize
/usr/bin/obprobe
/usr/bin/obprop
/usr/bin/obrotamer
/usr/bin/obrotate
/usr/bin/roundtrip
/usr/lib64/libopenbabel.so.3
/usr/lib64/libopenbabel.so.3.0.3
/usr/lib64/openbabel/
/usr/lib64/openbabel/2.2.3/APIInterface.so
/usr/lib64/openbabel/2.2.3/CSRformat.so
/usr/lib64/openbabel/2.2.3/MCDLformat.so
/usr/lib64/openbabel/2.2.3/PQSformat.so
/usr/lib64/openbabel/2.2.3/acrformat.so
/usr/lib64/openbabel/2.2.3/adfformat.so
/usr/lib64/openbabel/2.2.3/alchemyformat.so
/usr/lib64/openbabel/2.2.3/amberformat.so
/usr/lib64/openbabel/2.2.3/balstformat.so
/usr/lib64/openbabel/2.2.3/bgfformat.so
/usr/lib64/openbabel/2.2.3/boxformat.so
/usr/lib64/openbabel/2.2.3/cacaoformat.so
/usr/lib64/openbabel/2.2.3/cacheformat.so
/usr/lib64/openbabel/2.2.3/carformat.so
/usr/lib64/openbabel/2.2.3/cccformat.so
/usr/lib64/openbabel/2.2.3/cdxmlformat.so
/usr/lib64/openbabel/2.2.3/chem3dformat.so
/usr/lib64/openbabel/2.2.3/chemdrawcdxformat.so
/usr/lib64/openbabel/2.2.3/chemdrawctformat.so
/usr/lib64/openbabel/2.2.3/chemkinformat.so
/usr/lib64/openbabel/2.2.3/chemtoolformat.so
/usr/lib64/openbabel/2.2.3/cifformat.so
/usr/lib64/openbabel/2.2.3/cmlformat.so
/usr/lib64/openbabel/2.2.3/cmlreactformat.so
/usr/lib64/openbabel/2.2.3/copyformat.so
/usr/lib64/openbabel/2.2.3/crkformat.so
/usr/lib64/openbabel/2.2.3/cssrformat.so
/usr/lib64/openbabel/2.2.3/dmolformat.so
/usr/lib64/openbabel/2.2.3/fastaformat.so
/usr/lib64/openbabel/2.2.3/fastsearchformat.so
/usr/lib64/openbabel/2.2.3/fchkformat.so
/usr/lib64/openbabel/2.2.3/featformat.so
/usr/lib64/openbabel/2.2.3/fhformat.so
/usr/lib64/openbabel/2.2.3/fingerprintformat.so
/usr/lib64/openbabel/2.2.3/freefracformat.so
/usr/lib64/openbabel/2.2.3/gamessformat.so
/usr/lib64/openbabel/2.2.3/gamessukformat.so
/usr/lib64/openbabel/2.2.3/gausscubeformat.so
/usr/lib64/openbabel/2.2.3/gaussformat.so
/usr/lib64/openbabel/2.2.3/gausszmatformat.so
/usr/lib64/openbabel/2.2.3/ghemicalformat.so
/usr/lib64/openbabel/2.2.3/gromos96format.so
/usr/lib64/openbabel/2.2.3/hinformat.so
/usr/lib64/openbabel/2.2.3/inchiformat.so
/usr/lib64/openbabel/2.2.3/jaguarformat.so
/usr/lib64/openbabel/2.2.3/mdlformat.so
/usr/lib64/openbabel/2.2.3/mmcifformat.so
/usr/lib64/openbabel/2.2.3/mmodformat.so
/usr/lib64/openbabel/2.2.3/mol2format.so
/usr/lib64/openbabel/2.2.3/moldenformat.so
/usr/lib64/openbabel/2.2.3/molproformat.so
/usr/lib64/openbabel/2.2.3/molreportformat.so
/usr/lib64/openbabel/2.2.3/mopacformat.so
/usr/lib64/openbabel/2.2.3/mpdformat.so
/usr/lib64/openbabel/2.2.3/mpqcformat.so
/usr/lib64/openbabel/2.2.3/msiformat.so
/usr/lib64/openbabel/2.2.3/msmsformat.so
/usr/lib64/openbabel/2.2.3/nwchemformat.so
/usr/lib64/openbabel/2.2.3/opendxformat.so
/usr/lib64/openbabel/2.2.3/outformat.so
/usr/lib64/openbabel/2.2.3/pcmodelformat.so
/usr/lib64/openbabel/2.2.3/pdbformat.so
/usr/lib64/openbabel/2.2.3/pngformat.so
/usr/lib64/openbabel/2.2.3/povrayformat.so
/usr/lib64/openbabel/2.2.3/pqrformat.so
/usr/lib64/openbabel/2.2.3/pubchem.so
/usr/lib64/openbabel/2.2.3/qchemformat.so
/usr/lib64/openbabel/2.2.3/reportformat.so
/usr/lib64/openbabel/2.2.3/rsmiformat.so
/usr/lib64/openbabel/2.2.3/rxnformat.so
/usr/lib64/openbabel/2.2.3/shelxformat.so
/usr/lib64/openbabel/2.2.3/smilesformat.so
/usr/lib64/openbabel/2.2.3/thermoformat.so
/usr/lib64/openbabel/2.2.3/tinkerformat.so
/usr/lib64/openbabel/2.2.3/titleformat.so
/usr/lib64/openbabel/2.2.3/turbomoleformat.so
/usr/lib64/openbabel/2.2.3/unichemformat.so
/usr/lib64/openbabel/2.2.3/vaspformat.so
/usr/lib64/openbabel/2.2.3/viewmolformat.so
/usr/lib64/openbabel/2.2.3/xedformat.so
/usr/lib64/openbabel/2.2.3/xmlformat.so
/usr/lib64/openbabel/2.2.3/xtcformat.so
/usr/lib64/openbabel/2.2.3/xyzformat.so
/usr/lib64/openbabel/2.2.3/yasaraformat.so
/usr/lib64/openbabel/2.2.3/zindoformat.so
/usr/share/doc/openbabel-2.2.3/AUTHORS
/usr/share/doc/openbabel-2.2.3/COPYING
/usr/share/doc/openbabel-2.2.3/ChangeLog
/usr/share/doc/openbabel-2.2.3/FAQ.html
/usr/share/doc/openbabel-2.2.3/OBTwoMigration.html
/usr/share/doc/openbabel-2.2.3/README
/usr/share/doc/openbabel-2.2.3/README.dioxin.pov
/usr/share/doc/openbabel-2.2.3/README.povray
/usr/share/doc/openbabel-2.2.3/THANKS
/usr/share/doc/openbabel-2.2.3/babel.html
/usr/share/doc/openbabel-2.2.3/babel31.inc
/usr/share/doc/openbabel-2.2.3/dioxin.inc
/usr/share/doc/openbabel-2.2.3/dioxin.mol2
/usr/share/doc/openbabel-2.2.3/dioxin.png
/usr/share/doc/openbabel-2.2.3/dioxin.pov
/usr/share/doc/openbabel-2.2.3/obchiral.html
/usr/share/doc/openbabel-2.2.3/obconformer.html
/usr/share/doc/openbabel-2.2.3/obenergy.html
/usr/share/doc/openbabel-2.2.3/obfit.html
/usr/share/doc/openbabel-2.2.3/obgen.html
/usr/share/doc/openbabel-2.2.3/obgrep.html
/usr/share/doc/openbabel-2.2.3/obminimize.html
/usr/share/doc/openbabel-2.2.3/obprobe.html
/usr/share/doc/openbabel-2.2.3/obprop.html
/usr/share/doc/openbabel-2.2.3/obrotamer.html
/usr/share/doc/openbabel-2.2.3/obrotate.html
/usr/share/man/man1/babel.1.gz
/usr/share/man/man1/obchiral.1.gz
/usr/share/man/man1/obconformer.1.gz
/usr/share/man/man1/obenergy.1.gz
/usr/share/man/man1/obfit.1.gz
/usr/share/man/man1/obgen.1.gz
/usr/share/man/man1/obgrep.1.gz
/usr/share/man/man1/obminimize.1.gz
/usr/share/man/man1/obprobe.1.gz
/usr/share/man/man1/obprop.1.gz
/usr/share/man/man1/obrotamer.1.gz
/usr/share/man/man1/obrotate.1.gz
/usr/share/man/man1/roundtrip.1.gz
/usr/share/openbabel/
/usr/share/openbabel/2.2.3/MACCS.txt
/usr/share/openbabel/2.2.3/SMARTS_InteLigand.txt
/usr/share/openbabel/2.2.3/UFF.prm
/usr/share/openbabel/2.2.3/aromatic.txt
/usr/share/openbabel/2.2.3/atomtyp.txt
/usr/share/openbabel/2.2.3/bondtyp.txt
/usr/share/openbabel/2.2.3/element.txt
/usr/share/openbabel/2.2.3/fragments.txt
/usr/share/openbabel/2.2.3/ghemical.prm
/usr/share/openbabel/2.2.3/isotope-small.txt
/usr/share/openbabel/2.2.3/isotope.txt
/usr/share/openbabel/2.2.3/logp.txt
/usr/share/openbabel/2.2.3/mmff94.ff
/usr/share/openbabel/2.2.3/mmff94s.ff
/usr/share/openbabel/2.2.3/mmffang.par
/usr/share/openbabel/2.2.3/mmffbndk.par
/usr/share/openbabel/2.2.3/mmffbond.par
/usr/share/openbabel/2.2.3/mmffchg.par
/usr/share/openbabel/2.2.3/mmffdef.par
/usr/share/openbabel/2.2.3/mmffdfsb.par
/usr/share/openbabel/2.2.3/mmffoop.par
/usr/share/openbabel/2.2.3/mmffpbci.par
/usr/share/openbabel/2.2.3/mmffprop.par
/usr/share/openbabel/2.2.3/mmffs_oop.par
/usr/share/openbabel/2.2.3/mmffs_tor.par
/usr/share/openbabel/2.2.3/mmffstbn.par
/usr/share/openbabel/2.2.3/mmfftor.par
/usr/share/openbabel/2.2.3/mmffvdw.par
/usr/share/openbabel/2.2.3/mr.txt
/usr/share/openbabel/2.2.3/patterns.txt
/usr/share/openbabel/2.2.3/phmodel.txt
/usr/share/openbabel/2.2.3/plugindefines.txt
/usr/share/openbabel/2.2.3/psa.txt
/usr/share/openbabel/2.2.3/resdata.txt
/usr/share/openbabel/2.2.3/ringtyp.txt
/usr/share/openbabel/2.2.3/space-groups.txt
/usr/share/openbabel/2.2.3/torlib.txt
/usr/share/openbabel/2.2.3/types.txt

Changelog

2009-08-26 - Dominik Mierzejewski <rpm@greysector.net> 2.2.3-1
- updated to 2.2.3
- dropped obsolete patch
- fixed configure to detect external inchi (both pre-1.0.2 and 1.0.2)
- re-enabled inchi tests
2009-07-25 - Fedora Release Engineering <rel-eng@lists.fedoraproject.org> - 2.2.1-0.2.b3
- Rebuilt for https://fedoraproject.org/wiki/Fedora_12_Mass_Rebuild
2009-03-01 - Dominik Mierzejewski <rpm@greysector.net> 2.2.1-0.1.b3
- update to 2.2.1 beta3
- drop some obsolete workarounds
2009-02-26 - Fedora Release Engineering <rel-eng@lists.fedoraproject.org> - 2.2.0-3
- Rebuilt for https://fedoraproject.org/wiki/Fedora_11_Mass_Rebuild
2008-11-29 - Ignacio Vazquez-Abrams <ivazqueznet+rpm@gmail.com> - 2.2.0-2
- Rebuild for Python 2.6
2008-07-06 - Dominik Mierzejewski <rpm@greysector.net> 2.2.0-1
- updated to 2.2.0
- new URL
- dropped Python binding split patch (broken, reverted upstream)
- fixed testsuite and disabled inchi tests temporarily
- added strict perl version requirements (patch by Paul Howarth, bug #453120)
- fixed some rpmlint warnings
- merged a sed call into -rpm patch
2008-06-06 - Kevin Kofler <Kevin@tigcc.ticalc.org> 2.2.0-0.5.b5
- backport upstream patch to split Python binding (should fix #427700 for good)
- drop no longer needed ppc64 SWIG/GCC flag hackery
2008-05-29 - Kevin Kofler <Kevin@tigcc.ticalc.org> 2.2.0-0.4.b5
- update to 2.2.0 beta5
2008-05-09 - Kevin Kofler <Kevin@tigcc.ticalc.org> 2.2.0-0.3.b4
- generate Python binding with -fastdispatch on F9+ ppc64 (#427700)
- add -mno-sum-in-toc to optflags on F9+ ppc64 (#427700)
2008-03-02 - Dominik Mierzejewski <rpm@greysector.net> 2.2.0-0.2.b4
- updated to 2.2.0 beta4
- enable CML tests again (fixed upstream)

See Also

Package Description
openbabel-devel-2.2.3-1.el6.i686.rpm Development tools for programs which will use the Open Babel library
openbabel-devel-2.2.3-1.el6.x86_64.rpm Development tools for programs which will use the Open Babel library
openblas-0.3.3-2.el6.i686.rpm An optimized BLAS library based on GotoBLAS2
openblas-0.3.3-2.el6.x86_64.rpm An optimized BLAS library based on GotoBLAS2
openblas-Rblas-0.3.3-2.el6.x86_64.rpm A version of OpenBLAS for R to use as libRblas
openblas-devel-0.3.3-2.el6.i686.rpm Development headers and libraries for OpenBLAS
openblas-devel-0.3.3-2.el6.x86_64.rpm Development headers and libraries for OpenBLAS
openblas-openmp-0.3.3-2.el6.i686.rpm An optimized BLAS library based on GotoBLAS2, OpenMP version
openblas-openmp-0.3.3-2.el6.x86_64.rpm An optimized BLAS library based on GotoBLAS2, OpenMP version
openblas-openmp64-0.3.3-2.el6.x86_64.rpm An optimized BLAS library based on GotoBLAS2, OpenMP version
openblas-openmp64_-0.3.3-2.el6.x86_64.rpm An optimized BLAS library based on GotoBLAS2, OpenMP version
openblas-serial-0.3.3-2.el6.i686.rpm An optimized BLAS library based on GotoBLAS2, serial version
openblas-serial-0.3.3-2.el6.x86_64.rpm An optimized BLAS library based on GotoBLAS2, serial version
openblas-serial64-0.3.3-2.el6.x86_64.rpm An optimized BLAS library based on GotoBLAS2, serial version
openblas-serial64_-0.3.3-2.el6.x86_64.rpm An optimized BLAS library based on GotoBLAS2, serial version
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