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    Ghemical: Molecular modelling - Summary SummaryHomepageMessage forumsBug trackingMailing listsTask manager SurveysNewsCVS code repositoryDownloads

    bioinformatics software development :: Ghemical: Molecular modelling

    Ghemical is a molecular modelling package. The graphical user interface is built on GTK2. Both quantum-mechanical and forcefield-based methods are supported, and it is also possible to add new methods.


    License: GNU General Public License



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    Member information
    Project admins: thassine
    hutchisn
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    File releases

    Module Name: ghemical
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    News
    Submit Archive
    Version 1.91 released
    Submitted by Tommi Hassinen; posted on Nov. 12, 2005
    Version 1.91 is released with bugfixes for gcc-4 and 64-bit systems.
    New releases
    Submitted by Tommi Hassinen; posted on Jul. 01, 2005
    Versions 1.02 (stable) and 1.90 (development) versions have been released.
    ghemical-1.01 is released
    Submitted by Tommi Hassinen; posted on Dec. 23, 2003
    The version 1.01 contains bugfixes added during 2003 since version 1.00.
    ghemical-1.00 is released
    Submitted by Tommi Hassinen; posted on Dec. 04, 2002 (1 comment)
    The first stable version, v1.00, is released. Also a new development branch is now "offically" opened and the first development version, v1.50alpha, is also released.
    MANY_PROJECTS_BRANCH added to CVS
    Submitted by Tommi Hassinen; posted on May. 30, 2002
    A large reorganization has been done in the "ghemical" project CVS. The traditional v0.82 codebase has been moved to a branch called MANY_PROJECTS_BRANCH and some new stuff (still badly broken at the moment) has been added to the HEAD branch.

    The objective of the changes is to combine the several current "project" types into a single "project" type, making both the user inteface and code simpler. At the moment, both of the brances are developed and maintained side-by-side.

    To update your working copy to the traditional MANY_PROJECTS_BRANCH, use

    cvs update -r MANY_PROJECTS_BRANCH -d -P

    To checkout a working copy from the traditional branch, use

    cvs checkout -r MANY_PROJECT_BRANCH ghemical

    To checkout a working copy from the new code, use simply

    cvs checkout ghemical

    as usual.

    Submit Archive

     

    Acknowledgments

    We wish to thank the following for their support:

    [eXludus Technologies]
    [Bioinformatics: Methods Express]

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