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base repository: cdk/cdk
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  • 13 commits
  • 6 files changed
  • 1 contributor

Commits on Sep 8, 2014

  1. Improved selection of hydrogen position.

    Signed-off-by: Egon Willighagen <egonw@users.sourceforge.net>
    johnmay authored and egonw committed Sep 8, 2014
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  2. Use the improve hydrogen positioning when there are more than two nei…

    …ghbors.
    
    Signed-off-by: Egon Willighagen <egonw@users.sourceforge.net>
    johnmay authored and egonw committed Sep 8, 2014
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  3. Allow atom generation to include annotations (e.g. atom numbers).

    Signed-off-by: Egon Willighagen <egonw@users.sourceforge.net>
    johnmay authored and egonw committed Sep 8, 2014
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  4. Including parameters for configuring annotation display.

    Signed-off-by: Egon Willighagen <egonw@users.sourceforge.net>
    johnmay authored and egonw committed Sep 8, 2014
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  5. Utility for create a vector in the largest 'space' of a bonded atom.

    Signed-off-by: Egon Willighagen <egonw@users.sourceforge.net>
    johnmay authored and egonw committed Sep 8, 2014
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  6. Include access to a directional vector for each hydrogen position.

    Signed-off-by: Egon Willighagen <egonw@users.sourceforge.net>
    johnmay authored and egonw committed Sep 8, 2014
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  7. A method for generating a vector along which annotations can be placed.

    Signed-off-by: Egon Willighagen <egonw@users.sourceforge.net>
    johnmay authored and egonw committed Sep 8, 2014
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  8. Property to set and access annotation labels.

    Signed-off-by: Egon Willighagen <egonw@users.sourceforge.net>
    johnmay authored and egonw committed Sep 8, 2014
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  9. Annotation of atoms without a symbol displayed.

    Signed-off-by: Egon Willighagen <egonw@users.sourceforge.net>
    johnmay authored and egonw committed Sep 8, 2014
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  10. Generate annotations in one place.

    Signed-off-by: Egon Willighagen <egonw@users.sourceforge.net>
    johnmay authored and egonw committed Sep 8, 2014
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  11. Dodge the atom symbol by moving the base point to the intersection wi…

    …th the convex hull.
    
    Signed-off-by: Egon Willighagen <egonw@users.sourceforge.net>
    johnmay authored and egonw committed Sep 8, 2014
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  12. Avoid hydrogen adjunct location.

    Signed-off-by: Egon Willighagen <egonw@users.sourceforge.net>
    johnmay authored and egonw committed Sep 8, 2014
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  13. Allow annotations to be bound to an atom symbol. As the atom symbol m…

    …ay move - the annotation needs to move with it.
    
    Signed-off-by: Egon Willighagen <egonw@users.sourceforge.net>
    johnmay authored and egonw committed Sep 8, 2014
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