#1412 Nucleotide splitting for V3000 molfile SCSR #1420
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…nto 1412-nucleotiode-splitting
AlexanderSavelyev
requested changes
Nov 29, 2023
AlexanderSavelyev
requested changes
Dec 5, 2023
| @@ -124,6 +124,13 @@ namespace indigo | |||
| friend class MoleculeCIPCalculator; | |||
| typedef std::map<int, int> Mapping; | |||
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| struct TemplateAttPoint | |||
| { | |||
| int ap_occur_idx; | |||
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rename to understanble names
| M V30 MDLV30/STEABS ATOMS=(1 7) | ||
| M V30 END COLLECTION | ||
| M V30 BEGIN SGROUP | ||
| M V30 1 SUP 1 CLASS=LGRP |
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why there are no atoms in leaving group?
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Dec 6, 2023
AlexanderSavelyev
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Dec 6, 2023
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