epam / Indigo

Universal cheminformatics toolkit, utilities and database search tools
http://lifescience.opensource.epam.com
Apache License 2.0
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Preview: Unable to save mix of unresolved nucleotides and nucleotides to Sequence (and FASTA) #2039

Closed AlexeyGirin closed 3 months ago

AlexeyGirin commented 4 months ago

Steps to Reproduce

  1. Go to Macromolecules mode - Flex mode
  2. Open from file: Unable to save mix of unresolved nucleotides and nucleotides to sequence.zip OR create manually the following canvas: image
  3. Save canvas to Sequence format file (or FASTA)

Actual behavior System throws an exception: Convert error! Error during sequence type recognition(RNA, DNA or Peptide) Sequence: image FASTA: image

Expected behavior Since unresolved nucleotide is nucleotide - it should be recognized as DNA

Versions

Issue found while testing - https://github.com/epam/ketcher/issues/4382

AlexeyGirin commented 4 months ago

@rrodionov91 's comment on that: This is because we don't have classHELM field for the unsplite nucleotide. We have to add it and allow user to decide if it is RNA or DNA

AlexeyGirin commented 3 months ago

MOved to Ketcher - https://github.com/epam/ketcher/issues/5030