From: SourceForge.net <no...@so...> - 2003-10-14 13:22:43
|
Feature Requests item #808471, was opened at 2003-09-18 12:34 Message generated for change (Settings changed) made by egonw You can respond by visiting: https://sourceforge.net/tracker/?func=detail&atid=360084&aid=808471&group_id=10084 >Category: None Group: None Status: Open Priority: 5 Submitted By: Gemma Holliday (glh29) Assigned to: Nobody/Anonymous (nobody) Summary: Display of Radicals Initial Comment: There are a few reactions in the MACiE Database which are radical reactions, and JCP needs to be able to render and cope with these. ---------------------------------------------------------------------- You can respond by visiting: https://sourceforge.net/tracker/?func=detail&atid=360084&aid=808471&group_id=10084 |
From: SourceForge.net <no...@so...> - 2003-10-15 13:59:27
|
Feature Requests item #808471, was opened at 2003-09-18 12:34 Message generated for change (Comment added) made by egonw You can respond by visiting: https://sourceforge.net/tracker/?func=detail&atid=360084&aid=808471&group_id=10084 Category: None Group: None Status: Open Priority: 5 Submitted By: Gemma Holliday (glh29) Assigned to: Nobody/Anonymous (nobody) Summary: Display of Radicals Initial Comment: There are a few reactions in the MACiE Database which are radical reactions, and JCP needs to be able to render and cope with these. ---------------------------------------------------------------------- >Comment By: Egon Willighagen (egonw) Date: 2003-10-15 15:59 Message: Logged In: YES user_id=25678 Can you (privately) send me screenshots of what it should look like? ---------------------------------------------------------------------- You can respond by visiting: https://sourceforge.net/tracker/?func=detail&atid=360084&aid=808471&group_id=10084 |
From: SourceForge.net <no...@so...> - 2005-04-03 07:36:56
|
Feature Requests item #808471, was opened at 2003-09-18 12:34 Message generated for change (Comment added) made by egonw You can respond by visiting: https://sourceforge.net/tracker/?func=detail&atid=360084&aid=808471&group_id=10084 >Category: cdk Group: None >Status: Closed Priority: 5 Submitted By: Gemma Holliday (glh29) >Assigned to: Egon Willighagen (egonw) Summary: Display of Radicals Initial Comment: There are a few reactions in the MACiE Database which are radical reactions, and JCP needs to be able to render and cope with these. ---------------------------------------------------------------------- >Comment By: Egon Willighagen (egonw) Date: 2005-04-03 09:36 Message: Logged In: YES user_id=25678 Ok, finally implemented this. Gemma, can you say which MACiE entry has radicals? I'll make a screenshot then of what it now looks like in JCP. ---------------------------------------------------------------------- Comment By: Egon Willighagen (egonw) Date: 2003-10-15 15:59 Message: Logged In: YES user_id=25678 Can you (privately) send me screenshots of what it should look like? ---------------------------------------------------------------------- You can respond by visiting: https://sourceforge.net/tracker/?func=detail&atid=360084&aid=808471&group_id=10084 |
From: Peter Murray-R. <pm...@ca...> - 2003-10-18 13:35:04
|
At 06:22 14/10/2003 -0700, SourceForge.net wrote: >Feature Requests item #808471, was opened at 2003-09-18 12:34 >Message generated for change (Settings changed) made by egonw >You can respond by visiting: >https://sourceforge.net/tracker/?func=detail&atid=360084&aid=808471&group_id=10084 > > >Category: None >Group: None >Status: Open >Priority: 5 >Submitted By: Gemma Holliday (glh29) >Assigned to: Nobody/Anonymous (nobody) >Summary: Display of Radicals > >Initial Comment: >There are a few reactions in the MACiE Database which >are radical reactions, and JCP needs to be able to >render and cope with these. Agreed. FWIW radicals have been discussed on the OpenBabel list and as a result I have undertaken to add spin multiplicity to atoms and molecules in CML. In some cases it is known "where the spins are" and atoms can have spinMultiplicity. In others (e.g. NO) the spin can be localised anywhere in the molecule and it may make more sense to have a molecule spinMultiplicity. P. >---------------------------------------------------------------------- > >You can respond by visiting: >https://sourceforge.net/tracker/?func=detail&atid=360084&aid=808471&group_id=10084 > > >------------------------------------------------------- >This SF.net email is sponsored by: SF.net Giveback Program. >SourceForge.net hosts over 70,000 Open Source Projects. >See the people who have HELPED US provide better services: >Click here: http://sourceforge.net/supporters.php >_______________________________________________ >Cdk-devel mailing list >Cdk...@li... >https://lists.sourceforge.net/lists/listinfo/cdk-devel |