[Next-Generation Sequencing Book]
  • [Photo] J.W. Bizzaro • September 25, 2005
    Ghemical is a software application for studying the quantum and molecular mechanics of both small and large molecules. Developed by Tommi Hassinen and eleven contributors, the software offers a number of tools for the task, including those for molecular dynamics simulation and visualization (have a look at the screenshots). The project also maintains a separate "libghemical" development library.

    As implied by the "G" in its name, Ghemical is Free Software, licensed under the GNU GPL, and the semi-empirical and ab initio methods used are either open source or public domain. Versions 1.02 (stable) and 1.90 (development) were released just a couple months ago.

    Ghemical is of course hosted at Bioinformatics.Org along with other great projects, and it's one of our most popular:
    http://bioinformatics.org/ghemical/

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