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  • Committed [r8377]

    Fixed calculation of heavy neighbours. Fixed calculation of number of hydrogens.

  • Committed [r8297]

    Test changes. Added molecule configuration in test.

  • Committed [r8054]

    MoleculeUtils - added functions for counting ex...

  • Committed [r8053]

    added new class - MoleculeUtils

  • Committed [r8050]

    Implemented new class LDAtomHeavyNeighbours.

  • Committed [r6444]
  • Committed [r5611]
  • Committed [r5601]

    Added classes for determination of atomic forma...

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oggy-bogy
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2010-04-15 07:13:26

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