bugGnome Chemistry Utils - Bugs: bug #37080, Flip and chirality

 
 

You are not allowed to post comments on this tracker with your current authentication level.

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: 

I see...

It seems that the best way would be through fixing bug #37082 (absolute configurations), which by what you mention is pretty complicated.

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>
Group administrator
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?

I mean, instead of doing it "the right way" by telling GChemPaint to flip the molecule, to just make it flip the drawing and then make it change the wedge and hash bonds.

Wouldn't that work?

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>
Group administrator
Sun 12 Aug 2012 10:09:00 AM UTC, comment #1: 

That should be an option, I think.

Jean Bréfort <jean_brefort>
Group administrator
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>

 

(Note: upload size limit is set to 16384 kB, after insertion of the required escape characters.)

No files currently attached

 

Depends on the following items: None found

Items that depend on this one: None found

 

Carbon-Copy List
  • -email is unavailable- added by obibon (Submitted the item)
  •  

    There are 0 votes so far. Votes easily highlight which items people would like to see resolved in priority, independently of the priority of the item set by tracker managers.

     

    Follow 3 latest changes.

    Date Changed by Updated Field Previous Value => Replaced by
    2012-08-12 jean_brefort Severity3 - Normal 1 - Wish
        StatusNone Confirmed
    2012-08-12 jean_brefort Assigned toNone jean_brefort

    Back to the top

    Powered by Savane 3.13-f8d8.
    Corresponding source code