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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.
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=Open Babel: The Open Source Chemistry Toolbox=
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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.
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* '''[[Guides|Ready-to-use programs]]''', and '''[[:Category:Developer|complete programmer's toolkit]]'''
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* Read, write and convert over '''[http://openbabel.org/docs/2.3.0/FileFormats/Overview.html 110 chemical file formats]'''
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* Filter and search molecular files using '''[[SMARTS]]''' and other methods
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* Supports molecular modeling, cheminformatics, bioinformatics
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* Organic chemistry, inorganic chemistry, solid-state materials, nuclear chemistry
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* Downloaded over  '''[https://sourceforge.net/projects/openbabel/files/stats/timeline?dates=2001-11-25+to+2020-12-31 325,000 times]''' and used by over '''[[Related_Projects|40 related projects]]'''
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* More [[Open Babel:About|about Open Babel]]
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* [http://sourceforge.net/projects/openbabel/ Open Babel on SourceForge]
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<br/>
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<center>To support Open Babel, please cite '''[http://www.jcheminf.com/content/3/1/33 J. Cheminf. 2011, 3:33]'''</center>
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&nbsp;&nbsp;&nbsp;
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  {|
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  | align="center" | [[File:Download.png|link=Get Open Babel]]
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  |-
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  | align="center" | '''[[Get Open Babel | Download]]'''
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  |}
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&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
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  | align="center" | [[File:BookCover.png|border|link=http://openbabel.org/docs]]
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  |-
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  | align="center" | '''[http://openbabel.org/docs Online docs]'''
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  |-
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  | align="center" | '''[http://openbabel.org/docs/current/OpenBabel.pdf PDF]'''
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  |-
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  | align="center" | '''[http://www.lulu.com/product/paperback/open-babel/14927363 Buy Book]'''
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  |-
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  | align="center" | '''[http://www.jcheminf.com/content/3/1/33 Read Paper]'''
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  |}
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&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
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  {|
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  | align="center" | [[File:API.png|link=http://openbabel.org/api]]
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  |-
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  | align="center" | '''[http://openbabel.org/api Browse the API]'''
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  |}
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{| align="left" style="border-spacing:8px;margin:0px -8px"
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<h3 style="background:#FFC435;margin:-2px;padding:4px;"> ''Features''  
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</h3>
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<h3 style="background:#FFC435;margin:-2px;padding:4px;"> ''Navigation'' </h3>
 
<div style="padding: 2px 10px 6px;">
 
<div style="padding: 2px 10px 6px;">
* A huge variety of common chemical file formats, including [[MDL Molfile | SDF/MOL]], [[Sybyl mol2]], [[PDB]], [[SMILES]], [[XYZ (format) | XYZ]], [[CML]]... ([[babel|details]])
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* '''[[Get Open Babel]]'''
* Recognition of file type based on [[List of extensions|filename extension]]
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: (downloads, installation, release notes)
* [http://www.ch.ic.ac.uk/chemime/ Chemical MIME] support
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* '''[[Help|Need Help?]]'''
* Partial implementation of Daylight [[SMARTS]] molecular matching syntax
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: (getting support, reporting bugs, making suggestions...)
* Flexible [[Atomtype|atom typer]]
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* '''[[Capabilities]]'''
* Flexible bond typer for perception of multiple bonds from atomic coordinates
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: (features, file formats, related projects, academic papers...)
* [[Gasteiger-Marsili]] partial charge calculation
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* '''[[Guides|Using Open Babel Programs]]'''
* Hydrogen addition and deletion
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: (manuals, tutorials, support lists...)
* Isotope support, calculation of average and exact masses
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* '''[[Develop|Develop with Open Babel]]'''
* Automatic feature perception ([[Ring detection|rings]], bonds, [[Hybridisation|hybridization]], [[Aromaticity|aromaticity]])
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: (how does it work, examples, developer documentation...)
* Multiple conformer storage within molecules
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* '''[[Get Involved]]'''
* Command line conversion for multiple molecules in one file
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: (tell others, report bugs, suggest features, citing Open Babel...)
* Command line interface
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* Bitvector class
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* 3D Vector and matrix transformations
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* [[Repository|Molecular test suite]]
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* Open-source/Free Software under the [[Open_Babel:Copyrights|GNU General Public License]]
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* Cross platform (Windows, Linux, Mac OS X, SGI, Solaris, Dreamcast...)
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* [[Roadmap|More to come]]...
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</div>
 
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<h3 style="background:#FFC435;margin:-2px;padding:4px;"> ''News'' </h3>
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<h3 style="background:#FFC435;margin:-2px;padding:4px;"> ''Currently does NOT (yet)''  
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</h3>
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<div style="padding: 2px 10px 6px;">
 
<div style="padding: 2px 10px 6px;">
  
* Generate coordinates for [[SMILES]] strings. (i.e., all coordinates will be zero when converting from a [[SMILES]] string or other "0D format".)
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* '''2016-09-21''' [https://sourceforge.net/p/openbabel/news/2016/09/open-babel-240-released/ Open Babel 2.4.0 Released]
* Handle 2D&rarr;3D conversion (and coordinate generation).
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* '''2012-10-11''' Open Babel 2.3.2 Released
* Offer all features of [[SMARTS]]
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* '''2011-10-17''' [http://sourceforge.net/news/?group_id=40728&id=304025 Open Babel 2.3.1 Released]
* Function completely [http://sourceforge.net/tracker/?atid=428740&group_id=40728&func=browse bug-free].
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* '''2011-10-07''' [http://sourceforge.net/news/?group_id=40728&id=303847 Open Babel Paper Published]
* Handle a variety of important [http://sourceforge.net/tracker/?atid=447448&group_id=40728&func=browse file formats].
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* '''2011-03-24''' [http://sourceforge.net/news/?group_id=40728&id=298859 Pre-registration open for 2nd Open Babble]
* Make coffee.</div>
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* '''2010-10-26''' [http://sourceforge.net/news/?group_id=40728&id=293194 Open Babel 2.3.0 Released]
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* '''2010-07-06''' [http://sourceforge.net/news/?group_id=40728&id=288972 Silicos NV contributes Spectrophore code]
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* '''2009-07-31''' [[Open Babel 2.2.3]] Released
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* '''2009-07-10''' [http://sourceforge.net/forum/forum.php?forum_id=977922 Open Babel 2.2.2 Released]
<h3 style="background:#FFC435;margin:-2px;padding:4px;"> ''Heredity''  
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* '''2009-02-03''' [[Open Babel 2.2.1]] Released
</h3>
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* '''2008-07-04''' [http://sourceforge.net/forum/forum.php?forum_id=842834 Open Babel 2.2.0 Released]
<div style="padding: 2px 10px 6px;">
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* '''2008-03-20''' [http://sourceforge.net/forum/forum.php?forum_id=800745 Paper on Pybel published]
In the beginning there was [http://www.eyesopen.com/babel/ Babel]. And it was useful, liked by many and lived many years. And eventually there was OBabel which never saw the light of day. And OBabel lead to [http://www.eyesopen.com/products/toolkits/oelib.html OELib]. This was good and open and free. And into this day, what was OELib has become Open Babel (C++) and [http://joelib.sourceforge.net JOELib] (Java) and both will remain free and open.
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* '''2008-02-26''' [http://sourceforge.net/forum/forum.php?forum_id=790895 New OpenBabel.org Website]
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* '''2007-07-07''' [http://sourceforge.net/forum/forum.php?forum_id=713730 Open Babel 2.1.1 Released]
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* '''2007-04-07''' [http://sourceforge.net/forum/forum.php?forum_id=683573 Open Babel 2.1.0 Released]
  
So maybe it's not an epic story. But it's a continuing one. Many thanks to many previous [[THANKS|contributors]]! and please feel free to contribute to its future development.
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[http://sourceforge.net/news/?group_id=40728 News Archive &raquo;]
 
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| align="center" | [[File:BlueObelisk.png|link=http://blueobelisk.org]]
<h3 style="background:#FFC435;margin:-2px;padding:4px;"> ''What else?''
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</h3>
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<div style="padding: 2px 10px 6px;">
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*We're just getting started--there's still plenty to do.
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*Suggestions, comments? Contact the [mailto:[email protected] openbabel-discuss mailing list].
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<h3 style="background:#FFC435;margin:-2px;padding:4px;"> ''References''
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</h3>
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&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
<div style="padding: 2px 10px 6px;">
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| align="center" | [[File:InChITrust.png|link=http://www.inchi-trust.org/]]
[http://openbabel.sourceforge.net/wiki/index.php/Category:Reference Cheminformatics references]
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Latest revision as of 12:30, 25 September 2016

Open Babel: The Open Source Chemistry Toolbox

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.


To support Open Babel, please cite J. Cheminf. 2011, 3:33

   

Download.png
Download

       

BookCover.png
Online docs
PDF
Buy Book
Read Paper

       

API.png
Browse the API


Navigation

(downloads, installation, release notes)
(getting support, reporting bugs, making suggestions...)
(features, file formats, related projects, academic papers...)
(manuals, tutorials, support lists...)
(how does it work, examples, developer documentation...)
(tell others, report bugs, suggest features, citing Open Babel...)

News

BlueObelisk.png

       

       

InChITrust.png