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CHARMM + python

The pyCHARMM paper has been published:

pyCHARMM: Embedding CHARMM Functionality in a Python Framework
Joshua Buckner, Xiaorong Liu, Arghya Chakravorty, Yujin Wu, Luis F. Cervantes, Thanh T. Lai, and Charles L. Brooks III
Journal of Chemical Theory and Computation 2023 19 (12), 3752-3762
DOI: 10.1021/acs.jctc.3c00364

The paper describes the integration of CHARMM with python.