Feature Requests item #3202918, was opened at 2011-03-08 06:08 Message generated for change (Comment added) made by hansonr You can respond by visiting: https://sourceforge.net/tracker/?func=detail&atid=379136&aid=3202918&group_id=23629
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: Interface Improvements Group: None Status: Open Priority: 5 Private: No Submitted By: Nick Greeves (ngreeves84) Assigned to: Bob Hanson (hansonr) Summary: Radical curly arrows Initial Comment: We have had 3D curly arrows for "normal" two-electron reactions for some time and they work well. http://chemapps.stolaf.edu/jmol/docs/examples-11/draw.htm I notice that there has been almost no discussion on this list about radical reactions that involve unpaired electrons and are conventionally represented by curly arrows with half a head sometimes called fishhook arrows. http://chemistry2.csudh.edu/rpendarvis/Radicals.html#homolyt We are working on representing radical reactions and would like to be able to show the mechanisms in 3D with fishhook curly arrows. Could this be done in Jmol ? ---------------------------------------------------------------------- >Comment By: Bob Hanson (hansonr) Date: 2011-03-09 06:51 Message: Jmol 12.1.39 -- http://chemapps.stolaf.edu/jmol/docs/examples-12/Jmol-12.zip draw arrow {0 0 0} {1 2 3} {4 5 5} ... BARB turned out to be trivial. ---------------------------------------------------------------------- Comment By: Nick Greeves (ngreeves84) Date: 2011-03-09 03:45 Message: I don't think the view when the arrow is pointing directly at the viewer of directly away is critical. The current curly arrows don't look that clever from those directions. But that is OK as the user will simply rotate to see the full story. I think for the radical arrows having half a cone and always the "top" if the arrow is mainly horizontal at the end or the "right" if it is mainly vertical. Or maybe a translucent cone for single electrons and an opaque one for pairs. Or a differently coloured cone. Either might work well and be easy to implement. One might argue that the translucent idea is also in keeping with the lower weighting of the representation - fishhook v double headed ---------------------------------------------------------------------- Comment By: Bob Hanson (hansonr) Date: 2011-03-08 12:12 Message: Try to think of a nifty way to do this in 3D. Remember that that head could be pointing straight at the user, or perpendicular to the screen, or straight away. What would work for that? ---------------------------------------------------------------------- You can respond by visiting: https://sourceforge.net/tracker/?func=detail&atid=379136&aid=3202918&group_id=23629 ------------------------------------------------------------------------------ Colocation vs. Managed Hosting A question and answer guide to determining the best fit for your organization - today and in the future. http://p.sf.net/sfu/internap-sfd2d _______________________________________________ Jmol-developers mailing list Jmol-developers@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/jmol-developers
