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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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{{DISPLAYTITLE:<span style="position: absolute; clip: rect(1px 1px 1px 1px); clip: rect(1px, 1px, 1px, 1px);">{{FULLPAGENAME}}</span>}}
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=Open Babel: The Open Source Chemistry Toolbox=
  
'''Features currently include''':
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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.
  
* A huge variety of common chemical file formats, including SDF/MOL, Mol2, PDB, SMILES, XYZ, CML... ([[babel|details]])
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{| border="0"
* Recognition of file type based on filename extension
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* Chemical MIME support
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* Partial implementation of Daylight SMARTS molecular matching syntax
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* '''[[Guides|Ready-to-use programs]]''', and '''[[:Category:Developer|complete programmer's toolkit]]'''
* Flexible atom typer
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* Read, write and convert over '''[http://openbabel.org/docs/2.3.0/FileFormats/Overview.html 110 chemical file formats]'''
* Flexible bond typer for perception of multiple bonds from atomic coordinates
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* Filter and search molecular files using '''[[SMARTS]]''' and other methods
* Gasteiger partial charge calculation
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* Supports molecular modeling, cheminformatics, bioinformatics
* Hydrogen addition and deletion
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* Organic chemistry, inorganic chemistry, solid-state materials, nuclear chemistry
* Isotope support, calculation of average and exact masses
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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]]'''
* Automatic feature perception (rings, bonds, hybridization, aromaticity)
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* More [[Open Babel:About|about Open Babel]]
* Multiple conformer storage within molecules
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* [http://sourceforge.net/projects/openbabel/ Open Babel on SourceForge]
* Command line conversion for multiple molecules in one file
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<br/>
* Command line interface
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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>
* Bitvector class
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* 3D Vector and matrix transformations
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&nbsp;&nbsp;&nbsp;
* 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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  | align="center" | [[File:Download.png|link=Get Open Babel]]
* [[Roadmap|More to come]]...
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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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  {|
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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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|}
  
'''Currently does NOT (yet)''':
 
  
* 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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{| align="left" style="border-spacing:8px;margin:0px -8px"
* Handle 2D
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|-
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|width="60%" class="MainPageBG" style="border: 1px solid #FFC435; background-color: #f8fff8; vertical-align:top;"|
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<h3 style="background:#FFC435;margin:-2px;padding:4px;"> ''Navigation'' </h3>
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<div style="padding: 2px 10px 6px;">
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* '''[[Get Open Babel]]'''
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: (downloads, installation, release notes)
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* '''[[Help|Need Help?]]'''
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: (getting support, reporting bugs, making suggestions...)
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* '''[[Capabilities]]'''
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: (features, file formats, related projects, academic papers...)
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* '''[[Guides|Using Open Babel Programs]]'''
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: (manuals, tutorials, support lists...)
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* '''[[Develop|Develop with Open Babel]]'''
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: (how does it work, examples, developer documentation...)
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* '''[[Get Involved]]'''
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: (tell others, report bugs, suggest features, citing Open Babel...)
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</div>
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| width="40%" class="MainPageBG" style="border: 1px solid #FFC435; background-color: #f8fff8; vertical-align:top;"|
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<h3 style="background:#FFC435;margin:-2px;padding:4px;"> ''News'' </h3>
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<div style="padding: 2px 10px 6px;">
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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]
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* '''2012-10-11''' Open Babel 2.3.2 Released
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* '''2011-10-17''' [http://sourceforge.net/news/?group_id=40728&id=304025 Open Babel 2.3.1 Released]
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* '''2011-10-07''' [http://sourceforge.net/news/?group_id=40728&id=303847 Open Babel Paper Published]
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* '''2011-03-24''' [http://sourceforge.net/news/?group_id=40728&id=298859 Pre-registration open for 2nd Open Babble]
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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]
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* '''2009-02-03''' [[Open Babel 2.2.1]] Released
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* '''2008-07-04''' [http://sourceforge.net/forum/forum.php?forum_id=842834 Open Babel 2.2.0 Released]
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* '''2008-03-20''' [http://sourceforge.net/forum/forum.php?forum_id=800745 Paper on Pybel published]
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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]
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[http://sourceforge.net/news/?group_id=40728 News Archive &raquo;]
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</div>
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|}
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{| border="0" align="center"
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|-
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| align="center" | [[File:BlueObelisk.png|link=http://blueobelisk.org]]
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&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
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| align="center" | [[File:InChITrust.png|link=http://www.inchi-trust.org/]]
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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