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epam / ketcher

Web-based molecule sketcher
https://lifescience.opensource.epam.com/ketcher/demo.html
Apache License 2.0
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The structure with AH from Atom Generics is rendered incorrectly after saving in Daylight SMARTS format #41

Open AlexanderSavelyev opened 4 years ago

AlexanderSavelyev commented 4 years ago

Steps to reproduce

  1. Create any structure, for example, chain.
  2. Click Periodic table.
  3. Open Extended tab.
  4. Click the "AH" button in the Atom Generics section, click the OK button and click any structure atom.
  5. Click "Save as" button. Select Daylight SMART format. Click OK.
  6. Clear the canvas.
  7. Open the structure saved at 5th step.

Actual result The structure is rendered incorrectly - all atoms except the terminal ones are replaced with diradicals (singlets), terminal atoms display with minus charge. image

Expected result The structure should display in the same way as before saving.

Ksanjara commented 3 years ago

Issue is blocked by https://github.com/epam/ketcher/issues/322 UPD: Issue is unblocked.