From: SourceForge.net <no...@so...> - 2006-10-04 19:51:45
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Project Maintainance Tasks item #1289474, was opened at 2005-09-13 03:55 Message generated for change (Comment added) made by rajarshi You can respond by visiting: https://sourceforge.net/tracker/?func=detail&atid=631143&aid=1289474&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: Accepted Priority: 5 Submitted By: Egon Willighagen (egonw) Assigned to: Rajarshi Guha (rajarshi) Summary: CDK should use the BO data lists Initial Comment: Instead of using CDK based configuration data, it should reuse the blue obelisk data repository. It requires some looking into to wether or not they provide all data we need. ---------------------------------------------------------------------- >Comment By: Rajarshi Guha (rajarshi) Date: 2006-10-04 15:51 Message: Logged In: YES user_id=349408 Fixed the errors. This leaves the element data (chemicalElements.xml) to be updated. Whats the view on that? The BO data misses some fields that are present in the current CDK data ---------------------------------------------------------------------- Comment By: Egon Willighagen (egonw) Date: 2006-10-04 02:00 Message: Logged In: YES user_id=25678 Rajarshi, thanx for addressing this. Might you please update the JUnit tests too, by recalculating the correct values manually: http://cheminfo.informatics.indiana.edu/~rguha/code/java/nightly/test/result-standard.html ---------------------------------------------------------------------- Comment By: Egon Willighagen (egonw) Date: 2006-02-08 08:33 Message: Logged In: YES user_id=25678 OK, the licence for BODR has been set MIT, so CDK can start use this data. ---------------------------------------------------------------------- Comment By: Egon Willighagen (egonw) Date: 2006-01-05 08:49 Message: Logged In: YES user_id=25678 One possible problem might be the license. I think most BO data currently has the GPL license, while CDK is LGPL... this needs to be resolved first. Note that some copyright is bye OpenEye! ---------------------------------------------------------------------- You can respond by visiting: https://sourceforge.net/tracker/?func=detail&atid=631143&aid=1289474&group_id=20024 |