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libopenbabel-dev

Chemical toolbox library (development files)

Variants:
Open Babel is a chemical toolbox designed to speak the many languages of chemical data. It allows to search, convert, analyze, or store data from molecular modeling, chemistry, solid-state materials, biochemistry, or related areas. Features include:

* Hydrogen addition and deletion * Support for Molecular Mechanics * Support for SMARTS molecular matching syntax * Automatic feature perception (rings, bonds, hybridization, aromaticity) * Flexible atom typer and perception of multiple bonds from atomic coordinates * Gasteiger-Marsili partial charge calculation

File formats Open Babel supports include PDB, XYZ, CIF, CML, SMILES, MDL Molfile, ChemDraw, Gaussian, GAMESS, MOPAC and MPQC.

This package contains the static library and the header files.

Homepage:
Package version:2.2.3-1+b1
Architecture:i386
Distribution:Debian
Filename:libopenbabel-dev_2.2.3-1+b1_i386.deb

/usr/share/doc/libopenbabel-dev/README

Open Babel README version 2.2.3
----------------

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.

* Ready-to-use programs, and complete programmer's toolkit
* Read, write an
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/usr/share/doc/libopenbabel-dev/changelog.Debian.gz

openbabel (2.2.3-1+b1) unstable; urgency=low

  * Binary-only non-maintainer upload for i386; no source changes.
  * Build extension for python2.6

 -- i386 Build Daemon (murphy) <buildd_i386-murphy@buildd.debian.org>  Tue, 26 Jan 2010 05:15:21 +0000

openbabel (2.2.3-1) unstable; urgency=low

  * New upstream release.
  * debian/rules (DEB_INSTALL_CHANGELOGS_ALL): Install NEWS instead of
    Chan
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/usr/share/doc/libopenbabel-dev/changelog.gz

Open Babel 2.2.3 (2009-07-31)

What's New from 2.2.3:

This release represents an important bug-fix upgrade, strongly recommended
for all users of Open Babel. 

- Fixed bug in fingerprints in 2.2.2, where the default fingerprint
  format and bit length was changed inadvertently.
- Fixed detection of shared_ptr in tr1/memory.
- Fixed additional aromaticity / Kekule assignment bugs.
- Fixed several 
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/usr/share/doc/libopenbabel-dev/AUTHORS

Open Babel AUTHORS
-------------------

Open Babel would not be what it is without the help of a cas
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/usr/share/doc/libopenbabel-dev/THANKS

Open Babel THANKS
-------------------

Open Babel would not be what it is without the help of a cast
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/usr/share/doc/libopenbabel-dev/copyright

This package was debianized by Michael Banck <mbanck@gmx.net> on
Wed, 28 Nov 2001 23:25:19 +0100.

I
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