[Cdk-devel] [ cdk-Patches-3530233 ] Improved bondStereo conversion in CML

[SourceForge.net <no...@so...>]

Patches item #3530233, was opened at 2012-05-28 07:13
Message generated for change (Comment added) made by rwst
You can respond by visiting: 
https://sourceforge.net/tracker/?func=detail&atid=320024&aid=3530233&group_id=20024

Please note that this message will contain a full copy of the comment thread,
including the initial issue submission, for this request,
not just the latest update.
Category: None
Group: None
Status: Open
Resolution: None
Priority: 5
Private: No
Submitted By: John May (jwmay)
Assigned to: Nobody/Anonymous (nobody)
Summary: Improved bondStereo conversion in CML

Initial Comment:
Small patch that fixes some trouble i was having with the CDK CML output/conversion.

It seems that the CML tools I've been using (in Jumbo) don't use the property CDK sets and instead use the bondStereo XML Content. It was alos the case with importing a structure in ChemAxon's MarvinSketch. The bond is still marked with the "dictRef" but the XML content is now set as well.


----------------------------------------------------------------------

Comment By: Ralf Stephan (rwst)
Date: 2012-06-08 03:07

Message:
Made into a pull request, using my account:
https://github.com/cdk/cdk/pull/23

----------------------------------------------------------------------

You can respond by visiting: 
https://sourceforge.net/tracker/?func=detail&atid=320024&aid=3530233&group_id=20024