epam / ketcher

Web-based molecule sketcher
https://lifescience.opensource.epam.com/ketcher/demo.html
Apache License 2.0
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Macro: Unable to export canvas to MDL Molfile V3000 format #3717

Closed AlexeyGirin closed 9 months ago

AlexeyGirin commented 9 months ago

Steps to Reproduce

  1. Switch to Macromolecules view
  2. Load this mol file Chem.zip (unzip first)
  3. Press Save button
  4. In appeared save window - switch file format to MDL Molfile V3000

Actual behavior System throws Error Message:

Convert error! Given string could not be loaded as (query or plain) molecule or reaction, see the error messages: 'molecule: getImplicitH() does not work on R-sites', 'RXN loader: bad header {', 'RXN loader: bad header {', 'molecule: casting to molecule is invalid'

Expected behavior Works as intended

Desktop (please complete the following information):

Ketcher version [e.g. v2.4.2]. image

AlexeyGirin commented 9 months ago

No longer reproducible