Files
rdkit/Code/GraphMol/FileParsers/Mol2FileParser.cpp
Greg Landrum 1727ffd538 Fix the way carbon is handed in cleanupOrganometallics() (#8301)
* allow cleanupOrganometallics to work with carbon

* do not use cleanupOrganometallics with mol2

* fix handling of C atoms in cleanupOrganometallics

* add test for #8312

* Update Code/GraphMol/MolOps.cpp

Co-authored-by: Paolo Tosco <paolo.tosco.mail@gmail.com>

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Co-authored-by: Paolo Tosco <paolo.tosco.mail@gmail.com>
2025-03-03 17:30:41 +01:00

38 KiB