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No naturalAnalogShort in KET for basic aminoacids during conversion MOLV3000 -> KET #1449

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even1024 opened this issue Dec 18, 2023 · 0 comments · Fixed by #1450
Closed

No naturalAnalogShort in KET for basic aminoacids during conversion MOLV3000 -> KET #1449

even1024 opened this issue Dec 18, 2023 · 0 comments · Fixed by #1450
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Indigo-1.17.0-rc.3

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even1024 commented Dec 18, 2023 •
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Steps to Reproduce
Biovia draw doesn't save NATREPLACE for basic aminoacids into MOL v3000 so
naturalAnalogShort doesn't appear in exported KET.

Solution
naturalAnalogShort should be added automatically for basic aminoacids in molecule_json_saver.
@even1024 even1024 added the Bug label Dec 18, 2023
@even1024 even1024 added this to the Indigo-1.17.0-rc.3 milestone Dec 18, 2023
@even1024 even1024 self-assigned this Dec 18, 2023
@even1024 even1024 changed the title No naturalAnalogShort in KET for basic aminoacids during conversion MOLV3000 -> No naturalAnalogShort in KET for basic aminoacids during conversion MOLV3000 -> KET Dec 18, 2023
@even1024 even1024 linked a pull request Dec 18, 2023 that will close this issue
#1450 No naturalAnalogShort in KET for basic aminoacids during conversion MOLV3000 -> KET #1450
Merged
AlexanderSavelyev pushed a commit that referenced this issue Dec 27, 2023
@even1024
Backmerge: #1449 No naturalAnalogShort in KET for basic aminoacids du…
faa03d1 
…ring conversion MOLV3000 -> KET (#1457)
@github-project-automation github-project-automation bot moved this to Done in Indigo Aug 27, 2024
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Indigo
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Indigo-1.17.0-rc.3
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@even1024