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bobleesj / cifkit

High-throughput .cif analysis made easy. Visit: https://bobleesj.github.io/cifkit/
https://bobleesj.github.io/cifkit/
MIT License
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Support various versions of .cif for symmetry operations #20

Open bobleesj opened 1 month ago

bobleesj commented 1 month ago

From the COD database, I have noticed that

_symmetry_equiv_pos_as_xyz and _space_group_symop_ssg_operation_algebraic are both used. Let's implement this in 1.0.3