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Atropisomer centers support #1277

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even1024 opened this issue Sep 14, 2023 · 0 comments · Fixed by #1280
Closed

Atropisomer centers support #1277

even1024 opened this issue Sep 14, 2023 · 0 comments · Fixed by #1280
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@even1024
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Bug
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Indigo
Milestone
Indigo-1.14.0-rc.6

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@even1024
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even1024 commented Sep 14, 2023 •
edited

Implement specific type of stereocenter, keep non-standard bond directions inside the atropoisomeric center.
Add bond direction restore after the layout.
@even1024 even1024 added the Bug label Sep 14, 2023
@even1024 even1024 added this to the Indigo-1.14.0-rc.6 milestone Sep 14, 2023
@even1024 even1024 changed the title SMILES with bad enhanced stereochemistry is not parced SMILES with bad stereochemistry is not parced Sep 15, 2023
@even1024 even1024 self-assigned this Sep 15, 2023
@even1024 even1024 added this to Product Backlog in Indigo via automation Sep 15, 2023
@even1024 even1024 changed the title SMILES with bad stereochemistry is not parced SMILES with bad stereochemistry is not parsed Sep 15, 2023
@even1024 even1024 changed the title SMILES with bad stereochemistry is not parsed Atropisomer centers support Sep 27, 2023
@AlexanderSavelyev AlexanderSavelyev linked a pull request Oct 9, 2023 that will close this issue
#1277 SMILES with bad stereochemistry is not parsed #1280
Merged
AlexanderSavelyev pushed a commit that referenced this issue Oct 9, 2023
@even1024
#1277 SMILES with bad stereochemistry is not parsed (#1280)
ddaf0ff
Indigo automation moved this from Product Backlog to Done Oct 9, 2023
AlexanderSavelyev pushed a commit that referenced this issue Oct 12, 2023
@even1024
Backmerge: #1277 Atropisomer centers support (#1320)
af0c1a2
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@even1024 even1024

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Indigo-1.14.0-rc.6
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#1277 SMILES with bad stereochemistry is not parsed epam/Indigo
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@AlexanderSavelyev @even1024