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2 Commits

Author SHA1 Message Date
Paolo Tosco
a908e616b3 Some miscellaneous MinimalLib enhancements (#4169) 
* - expose SubstructureLibrary to MinimalLib
- expose acceptFailure flag to MinimalLib generate_aligned_coords
- expose merge_query_hs functionality to MinimalLib
- expose kekulize flag to MinimalLib get_mol
- add relevant JS tests

* integrates previous commit

* changes in response to review

Co-authored-by: Paolo Tosco <paolo.tosco@novartis.com>
 2021-05-29 06:23:08 +02:00
Greg Landrum
e7e17adc4e add documentation (#3583) 2020-12-09 13:31:14 +01:00