Preview: Unable to save mix of unresolved nucleotides and nucleotides to Sequence (and FASTA) - Githubissues

epam / Indigo

Universal cheminformatics toolkit, utilities and database search tools

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Preview: Unable to save mix of unresolved nucleotides and nucleotides to Sequence (and FASTA) #2039

Open AlexeyGirin opened 2 days ago

AlexeyGirin commented 2 days ago

Steps to Reproduce

Go to Macromolecules mode - Flex mode
Open from file: Unable to save mix of unresolved nucleotides and nucleotides to sequence.zip OR create manually the following canvas:
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: FASTA:

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

Versions

Ketcher Version 2.22.0-rc.2 Build at 2024-06-28; 05:30:15
Indigo Toolkit Version 1.22.0-dev.2.1-gd5637f75-wasm32-wasm-clang-12.0.0
Windows 10 Pro
Chrome Version 126.0.6478.127 (Official Build) (64-bit)

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

AlexeyGirin commented 2 days 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