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Pranavkhade / PACKMAN

PACKMAN: PACKing and Motion ANalysis
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rotation code fix 1 #50

Closed Pranavkhade closed 1 year ago

Pranavkhade commented 1 year ago

https://github.com/Pranavkhade/PACKMAN/blob/875e1b0c5cac5811a7968439f5b41f569839bb54/packman/molecule/model.py#L83

Insert this before the line to make the rotation code work.

self.__AllAtoms_inverse = { self.__AllAtoms[i]:i for i in self.__AllAtoms }