Crdgen 383 - #21
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rachelnwalker
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Apr 1, 2026
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Looks like there is a merge conflict, but these looks nice!
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should be free of conflicts now |
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rachelnwalker
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Apr 5, 2026
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I fixed a few templates by hand, and then ran minimisation on all macrocycles to avoid longer bonds
PLEASE DO NOT MODIFY template_smarts.h DIRECTLY
Add your templates to the templates.smi file in this repository. Add one CXSMILES per line, and please do not insert any blank lines.
Commit your changes and create the PR. The CI workflow will run on the new templates and validate them, and once they are approved, they will be automatically added to the header.
For more information please check https://github.com/rdkit/molecular_templates/blob/main/README.md