User Activity

  • Committed [a1037b] on Code

    Improvement in MoleculeTools.convertExplicitHAtomsToImplicit(): handle doubel bond stereo elements with explict H atoms connected - now the stereo is not lost

  • Committed [f6351c] on Code

    Added debug code to track doboble bond stereo loss within MoleculeTools.convertExplicitHAtomsToImplicit(mol)

  • Committed [f03ac2] on Code

    Debug printing of SMILES info

  • Committed [ae5814] on Code

    Small bug fix on handling not applicable reactions. Added a new test case 101B for not applicable reaction

  • Committed [2bca23] on Code

    Restoreed stereo SMIRKS test104() which is now working; added two new modifications: 104B and 104C

  • Committed [f2a8e6] on Code

    Improved function checkReactionResult(): handling of not applicable reactions

  • Committed [bd3214] on Code

    Fixed a bug: stereo utils code moved from FlagAromaticityTransformation section to FlagApplyStereoTransformation section

  • Committed [d70e67] on Code

    Added test helper function getIsomericSmiles()

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Personal Data

Username:
ntk73
Joined:
2008-03-10 15:11:38
Location:
Bulgaria / EEST
Gender:
Male

Projects

This is a list of open source software projects that Nikolay Kochev is associated with:

Personal Tools

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