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System keeps antisense base layout and enumeration even after chain stops being antisense (and vice versa) #6102

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AlexeyGirin opened this issue Dec 9, 2024 · 2 comments
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Layout Priority: Low Severity: High High level visibility to the user Snake mode Bucket: Snake mode related issues

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@AlexeyGirin
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Steps to Reproduce

  1. Go to Macro - Snake mode
  2. Load from HELM using paste from clipboard: RNA1{[nC62r](T)P.[nC62r](G)P.[nC62r](C)P}|RNA2{R(A)P.R(C)P.R(G)P}$RNA1,RNA2,2:pair-2:pair$$$V2.0
    image
  3. Remove hydrogen bond

Actual behavior
System keeps antisense base layout and enumeration even after chain stops being antisense
image

Expected behavior
System removes antisense base layout and change enumeration back to sense chain
image

As per requirement:

2.7. The antisense chain should be "flipped" in relation to the sense chain (see mockups) - bases of the new chain should be oriented in the opposite way, terminal indicators of the left-most sugar (associated with the base of a highest number) should be changed from 5' to 3' (or opposite) and/or of the left most amino acid from N to C (or opposite), and the numbering should go in the opposite direction.

If the sense chain was oriented bases down, the antisense chain should be oriented bases up.
If the sense chain was oriented bases up, the antisense chain should be oriented bases down.
If the left most sugar/amino acid of the sense chain has a terminal indicator of 5'/N, then the left most sugar/amino acid of the antisense chain should have a terminal indicator of 3'/C.
If the left most sugar/amino acid of the sense chain has a terminal indicator of 3'/C, then the left most sugar/amino acid of the antisense chain should have a terminal indicator of 5'/N.
If the numbering of the sense chain increases from left to right, the numbering of the antisense chain should increase right to left.
If the numbering of the sense chain increases from right to left, the numbering of the antisense chain should increase left to right.

Versions

  • Ketcher Version 2.28.0-rc.1 Build at 2024-12-03; 17:04:52
  • Indigo Version 1.27.0-rc.1.0-g8d656a341-wasm32-wasm-clang-19.0.0
  • Chrome Version 131.0.6778.109 (Official Build) (64-bit)
  • Win10

Issue found while testing - #5678

@AlexeyGirin AlexeyGirin added bug Priority: Low Severity: High High level visibility to the user labels Dec 9, 2024
@AlexeyGirin AlexeyGirin added this to the Ketcher 2.28.0-rc.2 milestone Dec 9, 2024
@AlexeyGirin AlexeyGirin changed the title System keeps antisense base layout and enumeration even after chain stops being antisense (and vise versa) System keeps antisense base layout and enumeration even after chain stops being antisense (and vice versa) Dec 9, 2024
@AlexeyGirin AlexeyGirin added Layout Snake mode Bucket: Snake mode related issues labels Dec 9, 2024
@rrodionov91 rrodionov91 self-assigned this Dec 9, 2024
@rrodionov91
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Fixed in #6099. Backmerged in #6111. Not linked because github does not allow to link more than 10 issues to PR

@AlexeyGirin
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AlexeyGirin commented Dec 11, 2024

Fixed.
image
Versions

  • Ketcher Version 2.28.0-rc.2 Build at 2024-12-10; 18:40:08
  • Indigo Version 1.27.0-rc.1.0-g8d656a341-wasm32-wasm-clang-19.0.0
  • Chrome Version 131.0.6778.140 (Official Build) (64-bit)
  • Win10

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Labels
Layout Priority: Low Severity: High High level visibility to the user Snake mode Bucket: Snake mode related issues
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