Gnome Chemistry Utils - Bugs: bug #37080, Flip and chirality
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bug #37080: Flip and chirality
Submitter: | Ibon <obibon> | ||
Submitted: | Sun 12 Aug 2012 10:03:07 AM UTC | ||
Category: | None | Severity: | 1 - Wish |
Item Group: | None | Status: | Confirmed |
Privacy: | Public | Assigned to: | jean_brefort |
Open/Closed: | Open |
Mon 13 Aug 2012 08:28:28 AM UTC, comment #5: |
Ibon <obibon> |
Sun 12 Aug 2012 11:56:05 AM UTC, comment #4: The issue I see is that there are other stereochemistry elements that would have to be changed, such as crossing bonds, and this might be quite difficult for some polycyclic compounds. |
Jean Bréfort <jean_brefort> |
Sun 12 Aug 2012 11:13:05 AM UTC, comment #3: And how about not making the molecule flip, but make GChemPaint automatically turn all the wedge bonds into hash bonds?
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Ibon <obibon> |
Sun 12 Aug 2012 10:53:53 AM UTC, comment #2: Actually, the more I think about it, and the more I tend to mark this one as won't fix. We actually flip the drawing, not the molecule itself, which is just not trivial, just like #31133. |
Jean Bréfort <jean_brefort> |
Sun 12 Aug 2012 10:09:00 AM UTC, comment #1: That should be an option, I think. |
Jean Bréfort <jean_brefort> |
Sun 12 Aug 2012 10:03:07 AM UTC, original submission:
When flipping horizontally or vertically, wedge bonds should become hash bonds and vice-versa; otherwise we wouldn't be flipping the molecule, but drawing the enantiomer! |
Ibon <obibon> |
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Follow 3 latest changes.
Date | Changed by | Updated Field | Previous Value | => | Replaced by |
---|---|---|---|---|---|
2012-08-12 | jean_brefort | Severity | 3 - Normal | 1 - Wish | |
Status | None | Confirmed | |||
2012-08-12 | jean_brefort | Assigned to | None | jean_brefort |
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Corresponding source code
I see...
It seems that the best way would be through fixing bug #37082 (absolute configurations), which by what you mention is pretty complicated.