User Activity

  • Committed [b2996d] on Code

    Fix a corner case in hydrogen suppression when a double bond has 2 hydrogens on the same end!

  • Committed [eed5dc] on Code

    Fix the small cycle/ring algorithms and reuse them in the stereo element factory.

  • Committed [d43144] on Code

    Fix a minor corner case in hydrogen normalisation.

  • Committed [0584a2] on Code

    Watch out for NaN when the offset of double bonds is computed.

  • Committed [df1a00] on Code

    Missed change to the BeamToCdk part

  • Committed [ceacd5] on Code

    Allow coordinate bonds to be parsed from CXSMILES - https://github.com/cdk/depict/issues/102

  • Committed [516927] on Code

    Spotted in molwitch-cdk, this check should only be warning (and skipping) if hashed wedge is between two stereocenters!

  • Committed [35bd46] on Code

    Reuse the usmigen field when creating abbreviations, this allows hydrogen isotopes in the abbreviated structure.

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Personal Data

Username:
egonw
Joined:
2000-04-11 15:46:55

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This is a list of open source software projects that Egon Willighagen is associated with:

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