Difference between revisions of "Category:Capabilities"

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* '''Automatic recognition of file type''' based on [[List of extensions|filename extension]]
 
* '''Automatic recognition of file type''' based on [[List of extensions|filename extension]]
 
* Implementation of Daylight '''[[SMARTS]]''' molecular matching syntax
 
* Implementation of Daylight '''[[SMARTS]]''' molecular matching syntax
* [[Gasteiger-Marsili]] partial charge calculation
+
* '''[[babel|Batch conversion]]''' for multiple molecules in one file (e.g., splitting, merging, batch operation)
 +
* '''[[Gasteiger-Marsili]]''' partial charge calculation
 
* Hydrogen addition and deletion
 
* Hydrogen addition and deletion
 
* Isotope support, calculation of average and exact masses
 
* Isotope support, calculation of average and exact masses
* Flexible [[Atomtype|atom typer]]
+
* Flexible [[Atomtype|atom typer]] and perception of '''multiple bonds from atomic coordinates'''
* Flexible bond typer for perception of multiple bonds from atomic coordinates
+
 
* Automatic feature perception ([[Ring detection|rings]], bonds, [[Hybridisation|hybridization]], [[Aromaticity|aromaticity]])
 
* Automatic feature perception ([[Ring detection|rings]], bonds, [[Hybridisation|hybridization]], [[Aromaticity|aromaticity]])
* '''[[babel|Batch conversion]]''' for multiple molecules in one file (e.g., splitting, merging, batch operation)
 
 
* Open-source/Free Software under the [[Open_Babel:Copyrights|GNU General Public License]]
 
* Open-source/Free Software under the [[Open_Babel:Copyrights|GNU General Public License]]
 
* Cross platform (Windows, Linux, Mac OS X, SGI, Solaris, Dreamcast...)
 
* Cross platform (Windows, Linux, Mac OS X, SGI, Solaris, Dreamcast...)

Revision as of 18:47, 19 October 2006

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.

Among other features, Open Babel offers:

Subcategories

This category has only the following subcategory.

Pages in category "Capabilities"

The following 2 pages are in this category, out of 2 total.