#395 Adds three new Fe atom types

Needs_Revision
closed
cdk-1.4.x (181)
5
2012-10-08
2011-08-16
No

Adds Fe, R-Fe-R and Fe(3+) atom types.

Discussion

  • Anonymous - 2011-08-16

    The patch (CDKAtomTypeMatcher, CDKAtomTypeMatcherTest, CDK-Atom-Types.owl)

     
  • Asad

    Asad - 2011-08-20

    This patch includes 3 missing atom types of Fe.

    Unfortunately a similar patch already exists in the patch tracker submitted by gilleain KEGG Atom type patches - ID: 3374133 dated 2011-07-21

    Thanks for submitting your patch. Once gilleain's patch is pushed, it will also cover your Fe cases.

    Hope this is fine with you.

     
  • Egon Willighagen

    Stephan, please double check all your atom types are indeed covered by that patch, and then close this report. Or comment, and keep it open :)

     
  • Anonymous - 2011-08-22

    All atom types already included in KEGG Atom type patches - ID: 3374133 dated 2011-07-21.

     

Log in to post a comment.