epam / Indigo

Universal cheminformatics toolkit, utilities and database search tools
http://lifescience.opensource.epam.com
Apache License 2.0
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Atom Query feature export: System lost "Implicit H count" values, add Valence value, corrupt layout - export to RXN V2000 #1497

Open AlexeyGirin opened 9 months ago

AlexeyGirin commented 9 months ago

Environment details (please complete the following information):

Describe the bug System lost "Implicit H count" values or add Valence value

Steps to Reproduce

  1. Open from file: Implicit H count4.zip
  2. Save it to NRX V2000 file format
  3. Clear canvas
  4. Load from NRX V2000 file format

Actual behavior Atom Query feature export: System lost "Implicit H count" values, add Valence value, corrupt layout image

Expected behavior Works as intended. On that screenshot layout is correct (system doesn't show some values because of https://github.com/epam/ketcher/issues/3529 issue) image

AliaksandrDziarkach commented 9 months ago

Provided ket file contains no "plus" entry. Looks like this is ketcher(frontend) issue.

AlexeyGirin commented 9 months ago

Need to be fixed

AlexeyGirin commented 9 months ago

Expected result (same as it works in Marvin). This is for Implicit H = 7 image

AlexeyGirin commented 6 months ago

Moved to Refined Backlog since no fix over 2 versions