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Extended SMILES: Atropisomer is displayed incorrectly #1346

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Zhirnoff opened this issue Oct 18, 2023 · 1 comment
Closed

Extended SMILES: Atropisomer is displayed incorrectly #1346

Zhirnoff opened this issue Oct 18, 2023 · 1 comment

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@Zhirnoff
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Zhirnoff commented Oct 18, 2023

Steps to Reproduce

  1. Paste
    CC1=C(N2C=CC=C2[C@H](C)Cl)C(C)CCC1 |(2.679,0.4142,;1.3509,1.181,;0.0229,0.4141,;0.0229,-1.1195,;1.2645,-2.0302,;0.7901,-3.4813,;-0.7446,-3.4813,;-1.219,-2.0302,;-2.679,-1.5609,;-3.0039,-0.0556,;-3.8202,-2.595,;-1.3054,1.1809,;-2.6335,0.4141,;-1.3054,2.7145,;0.0229,3.4813,;1.3509,2.7146,),wD:2.11,wU:8.10,&1:8|

Expected behavior
The atropisomer should be displayed correctly, in accordance with the provided coordinates
2023-10-18_18h03_34

Actual behavior
Atropisomer is displayed incorrectly
2023-10-18_17h21_36

Indigo/Bingo version
Version 1.14.0-rc.6

#186288932

@Zhirnoff Zhirnoff added this to the Indigo-1.15.0-rc.1 milestone Oct 18, 2023
@Zhirnoff Zhirnoff added this to Product Backlog in Indigo via automation Oct 18, 2023
@Zhirnoff Zhirnoff changed the title Extended SMILES: Anthropoisomer is displayed incorrectly Extended SMILES: Atropisomer is displayed incorrectly Oct 19, 2023
@even1024
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Fixed on ketcher side with epam/ketcher#3462

Indigo automation moved this from Product Backlog to Done Oct 23, 2023
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