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AdriaBarbecho
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Mar 18, 2026
AdriaBarbecho
commented
- Tag issue being addressed
- Add tests
- Update docstrings/documentation, if applicable
- Update changelog
- All tests successfully pass
Release of peleffy 1.5.2
…es when different bifuractions from branches appear. Now, the procedure is: 1. It detects the core. 2. Detects the different branches generated in the core. 3. Search for the different bifurcations inside each of the branches that come out the core, generated in rigid rings. 4. Create the rotamer groups, ordering them by their size. If a bifurcation in a branch is found, one group corresponds to the largest subbranch from the core, and the rotatable bonds left are distributed in different groups considering the ring where the bifurcation appears as the new core.
martimunicoy
approved these changes
Mar 20, 2026
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