Difference between revisions of "Category:Capabilities"

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* '''[[babel|Batch conversion]]''' for multiple molecules in one file (e.g., splitting, merging, batch operation)
 
* '''[[babel|Batch conversion]]''' for multiple molecules in one file (e.g., splitting, merging, batch operation)
 
* '''[[Gasteiger-Marsili]]''' partial charge calculation
 
* '''[[Gasteiger-Marsili]]''' partial charge calculation
 +
* Support for '''[[Molecular_mechanics|Molecular Mechanics]]'''
 
* Hydrogen addition and deletion
 
* Hydrogen addition and deletion
 
* Isotope support, calculation of average and exact masses
 
* Isotope support, calculation of average and exact masses

Latest revision as of 12:15, 17 July 2010

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.

It has been used in over 30 other projects and repeatedly cited in academic literature and presentations.

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.