epam / Indigo

Universal cheminformatics toolkit, utilities and database search tools
http://lifescience.opensource.epam.com
Apache License 2.0
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Export of ambiguous monomers doesn't work (error appears) to any export format (even to SVG/PNG) except KET #2312

Open AlexeyGirin opened 3 weeks ago

AlexeyGirin commented 3 weeks ago

Steps to Reproduce

  1. Toggle to Macro - Flex
  2. Put any ambiguous monomer on the canvas ( X peptide in my case) image
  3. Toggle to Molecules mode
  4. Press Save button

Note: It also doesn't save ambiguous monomers in macro mode to the following formats: MDL Mofile V3000, Sequence, FASTA, and IDT.

Actual behavior System throws an error: Given string could not be loaded as (query or plain) molecule or reaction, see the error messages: 'molecule json loader: Unknows node type: ambiguousMonomer', 'RXN loader: bad header {', 'RXN loader: bad header {', 'molecule json loader: Unknows node type: ambiguousMonomer' image

Expected behavior No exception. Works as intended

Versions

Reference issues: https://github.com/epam/ketcher/issues/4557

AlexeyGirin commented 1 week ago

Split to two bugs - SVG/PNG (1.25) one and all the rest to second one (1.25)