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When pasting Extended SMILES with coordinates enhanced stereochemistry is lost #1347

Closed
Zhirnoff opened this issue Oct 18, 2023 · 0 comments · Fixed by #1350 or #1359
Closed

When pasting Extended SMILES with coordinates enhanced stereochemistry is lost #1347

Zhirnoff opened this issue Oct 18, 2023 · 0 comments · Fixed by #1350 or #1359
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@even1024
Labels
Bug Priority: High
Projects
Indigo
Milestone
Indigo-1.14.0-rc.7

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@Zhirnoff
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Zhirnoff commented Oct 18, 2023 •
edited

Steps to Reproduce

  1. Paste
    CC1CCCC(C)C=1N1C([C@@H](Cl)C)=CC=C1 |a:7,&1:10,r,wD:7.6,10.11,(13.73,-9.95,;14.59,-9.45,;16.07,-8.70,;16.18,-6.82,;17.23,-7.80,;16.33,-9.45,;17.19,-9.95,;15.46,-9.95,;15.46,-10.95,;14.76,-11.67,;13.77,-11.53,;13.40,-10.60,;13.16,-12.32,;15.23,-12.55,;16.22,-12.38,;16.36,-11.39,)|

Expected behavior
Enhanced stereochemistry is preserved
2023-10-18_19h56_08

Actual behavior
Enhanced stereochemistry is lost
2023-10-18_19h56_14

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
@even1024 even1024 linked a pull request Oct 19, 2023 that will close this issue
Backmerge: #1347 When pasting Extended SMILES with coordinates enhanced stereochemistry is lost #1350
Merged
@even1024 even1024 moved this from Product Backlog to Done in Indigo Oct 19, 2023
@AlexanderSavelyev AlexanderSavelyev linked a pull request Oct 20, 2023 that will close this issue
#1347 When pasting Extended SMILES with coordinates enhanced stereochemistry is lost #1359
Merged
AlexanderSavelyev pushed a commit that referenced this issue Oct 20, 2023
@even1024
#1347 When pasting Extended SMILES with coordinates enhanced stereoch…
88ba11f 
…emistry is lost (#1359)
AlexanderSavelyev pushed a commit that referenced this issue Oct 20, 2023
@even1024
Backmerge: #1347 When pasting Extended SMILES with coordinates enhanc…
1951ec4 
…ed stereochemistry is lost (#1350)
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Assignees

@even1024 even1024

Labels
Bug Priority: High
Projects
Indigo
  
Done
Milestone
Indigo-1.14.0-rc.7
2 participants
@even1024 @Zhirnoff