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base repository: cdk/cdk
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  • 4 commits
  • 8 files changed
  • 1 contributor

Commits on Sep 9, 2014

  1. Partition extended tetrahedral elements 

    Signed-off-by: Egon Willighagen <egonw@users.sourceforge.net>
    @johnmay @egonw
    johnmay authored and egonw committed Sep 9, 2014
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  2. In memory identity template library. 

    Signed-off-by: Egon Willighagen <egonw@users.sourceforge.net>
    @johnmay @egonw
    johnmay authored and egonw committed Sep 9, 2014
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  3. 2D identity templates created from ChEBI 118. Tools are in 'cdk-build… 

    …-util' but not committed yet (depend on this patch).

Signed-off-by: Egon Willighagen <egonw@users.sourceforge.net>
    @johnmay @egonw
    johnmay authored and egonw committed Sep 9, 2014
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  4. Utility to create skeleton copies of molecules. These are normalized … 

    …representations when every except the element type is removed.

Signed-off-by: Egon Willighagen <egonw@users.sourceforge.net>
    @johnmay @egonw
    johnmay authored and egonw committed Sep 9, 2014
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