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douweschulte / pdbtbx

A library to open/edit/save (crystallographic) Protein Data Bank (PDB) and mmCIF files in Rust.

Home Page:https://crates.io/crates/pdbtbx

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Accept Hall symbols for symmetries

douweschulte opened this issue · comments

commented

Sometimes the symmetry in the CRYST line is provided as a Hall symbol instead of Hermann Mauguin. It would be great if the program can detect this and still handle it.