#543 Added output of ITetrahedralChirality to InChI

Needs_Review
closed
John May
cdk-1.4.x (181)
5
2012-10-28
2012-09-20
Egon Willighagen
No

John and Rajarshi,

can you please review this patch for cdk-1.4.x? It adds support of serializing the ITetrahedralChirality into InChI...

The test uses L-alanine, but I like you to double check I got the chirality right. I checked it with PubChem, but very much like the both of you to independently confirm the correctness.

Discussion

  • John May
    John May
    2012-09-20

    Signed patch

     
    Attachments
  • Rajarshi approved the patch too (see ML).

    I applied and pushed the two patches to cdk-1.4.x now.