Rotaion of cluster molecule in lattice?

pymatgen
1

Hi,
i’d like to rotate the BH4 molecule in lattice in any degree (structure is shown in the following), and during the rotation, the B atom is fixed, is there a way to do this in pymatgen?

Thanks
1656144305200

2

Hi,

I have wrote a toy code for that, in which searching algorithms were applied to recognize molecule-like moieties in a crystal, and then rotations were applied.

M.Y. Guo