Difference between revisions of "Capabilities"

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* 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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#REDIRECT [[:Category:Capabilities]]
* Recognition of file type based on [[List of extensions|filename extension]]
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* [http://www.ch.ic.ac.uk/chemime/ Chemical MIME] support
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* Partial implementation of Daylight [[SMARTS]] molecular matching syntax
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* Flexible [[Atomtype|atom typer]]
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* Flexible bond typer for perception of multiple bonds from atomic coordinates
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* [[Gasteiger-Marsili]] partial charge calculation
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* Hydrogen addition and deletion
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* Isotope support, calculation of average and exact masses
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* Automatic feature perception ([[Ring detection|rings]], bonds, [[Hybridisation|hybridization]], [[Aromaticity|aromaticity]])
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* Multiple conformer storage within molecules
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* Command line conversion for multiple molecules in one file
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* 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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* [[HowTo:Contribute|More to come]]...
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Latest revision as of 10:14, 17 October 2006