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openbabel

Convert between file formats used in molecular modeling chemistry

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 and computational chemistry.
Homepage:
Package version:2.1.1
Architecture:x86_64
Distribution:Dag
Filename:openbabel-2.1.1-1.el4.rf.x86_64.rpm

/usr/share/doc/openbabel-2.1.1/README

Open Babel README version 2.1.1
----------------

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/openbabel-2.1.1/NEWS

Open Babel 2.1.1 (2007-07-07)

What's New from 2.1.0:

This release represents a bug-fix release and should be a stable upgrade,
highly recommended for all users of Open Babel. A large number of bugs
have been fixed, so even users who have not had problems with 2.1.0
are encouraged to upgrade. 

- Improved scripting support, including dictionary-support for
   OBGenericData in pybel, casting from 
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/usr/share/man/man1/babel.1.gz

babel(1)               User's Reference Manual              babel(1)

NAME
     babel — a converter for chemistry and molecular modeling data
     files

SYNOPSIS
     babel [-H help-options]
     babel [OPTIONS] [-i input-type] infile [-o output-type] outfile

DESCRIPTION
     Babel is a cross-platform program designed to interconvert
     between many file formats used in molecular modeling an
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/usr/share/man/man1/obchiral.1.gz

obchiral(1)            User's Reference Manual           obchiral(1)

NAME
     obchiral — print m
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/usr/share/man/man1/obfit.1.gz

obfit(1)               User's Reference Manual              obfit(1)

NAME
     obfit — superimpos
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/usr/share/man/man1/obgrep.1.gz

obgrep(1)              User's Reference Manual             obgrep(1)

NAME
     obgrep — an advanc
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/usr/share/man/man1/obprop.1.gz

obprop(1)              User's Reference Manual             obprop(1)

NAME
     obprop — print sta
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/usr/share/man/man1/obrotate.1.gz

obrotate(1)            User's Reference Manual           obrotate(1)

NAME
     obrotate — batch-r
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