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Preview: Unable to save mix of unresolved nucleotides and nucleotides to Sequence (and FASTA) #5030

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AlexeyGirin opened this issue Jul 8, 2024 · 2 comments · Fixed by #5033 or #5038
Closed

Preview: Unable to save mix of unresolved nucleotides and nucleotides to Sequence (and FASTA) #5030

AlexeyGirin opened this issue Jul 8, 2024 · 2 comments · Fixed by #5033 or #5038
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@rrodionov91
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bug Export to Sequence Bucket: Bugs related to Export to Sequence mode Priority: High

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@AlexeyGirin
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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

  • 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 - #4382
@AlexeyGirin AlexeyGirin added the bug label Jul 8, 2024
@AlexeyGirin AlexeyGirin added this to the Ketcher 2.23.0-rc.2 milestone Jul 8, 2024
@AlexeyGirin AlexeyGirin added Export to Sequence Bucket: Bugs related to Export to Sequence mode Priority: High labels Jul 8, 2024
@AlexeyGirin AlexeyGirin mentioned this issue Jul 8, 2024
Closed
@rrodionov91 rrodionov91 self-assigned this Jul 8, 2024
rrodionov91 added a commit that referenced this issue Jul 8, 2024
@rrodionov91
#5030 - Preview: Unable to save mix of unresolved nucleotides and nuc…
ba885e5 
…leotides to Sequence (and FASTA)

- added classHELM: RNA for unsplit nucleotides
@rrodionov91 rrodionov91 linked a pull request Jul 8, 2024 that will close this issue
#5030 - Preview: Unable to save mix of unresolved nucleotides and nucleotides to Sequence (and FASTA) #5033
Merged
9 tasks
rrodionov91 added a commit that referenced this issue Jul 8, 2024
@rrodionov91
#5030 - Preview: Unable to save mix of unresolved nucleotides and nuc…
627fc93 
…leotides to Sequence (and FASTA)

- added classHELM: RNA for unsplit nucleotides
- fixed unsplit nucleotides filtering from bases in library
rrodionov91 added a commit that referenced this issue Jul 8, 2024
@rrodionov91
#5030 - Preview: Unable to save mix of unresolved nucleotides and nuc…
307d31b 
…leotides to Sequence (and FASTA)

- added classHELM: RNA for unsplit nucleotides
@rrodionov91 rrodionov91 linked a pull request Jul 8, 2024 that will close this issue
Backmerge: #5030 - Preview: Unable to save mix of unresolved nucleotides and nucleotides to Sequence (and FASTA) #5038
Merged
9 tasks
rrodionov91 added a commit that referenced this issue Jul 8, 2024
@rrodionov91
Backmerge: #5030 - Preview: Unable to save mix of unresolved nucleoti…
d0dca5d 
…des and nucleotides to Sequence (and FASTA) (#5038)

- added classHELM: RNA for unsplit nucleotides
- fixed unsplit nucleotides filtering from bases in library
@AnnaKosol
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Issue is still reproduced
Sequence:
Image
FASTA:
Image
Versions:
Ketcher Version 2.23.0-rc.2 Build at 2024-07-10; 19:39:22
Indigo Version 1.22.0-rc.2.0-ga21fb5d8f-wasm32-wasm-clang-19.0.0
Chrome Версия 126.0.6478.127 (Официальная сборка), (arm64)
MacOs Sonoma 14.5

@AnnaKosol AnnaKosol reopened this Jul 11, 2024
@AlexeyGirin AlexeyGirin removed this from the Ketcher 2.23.0-rc.3 milestone Jul 12, 2024
@AlexeyGirin
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Fixed.
image

  • Ketcher Version 2.23.0-rc.2 Build at 2024-07-10; 19:39:22
  • Indigo Toolkit Version 1.22.0-rc.2.0-ga21fb5d8f-wasm32-wasm-clang-19.0.0
  • Windows 10 Pro
  • Chrome Version 126.0.6478.127 (Official Build) (64-bit)

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@rrodionov91 rrodionov91

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bug Export to Sequence Bucket: Bugs related to Export to Sequence mode Priority: High
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@rrodionov91 @AlexeyGirin @AnnaKosol