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douweschulte / pdbtbx

A library to open/edit/save (crystallographic) Protein Data Bank (PDB) and mmCIF files in Rust.
https://crates.io/crates/pdbtbx
MIT License
48 stars 12 forks source link

SEQRES issues #47

Closed douweschulte closed 3 years ago

douweschulte commented 3 years ago

With the removal of Hetero chains #46 and a fix in the clone of Chain in 91f0e41cdc78807873ffcf6e05ec3b1e706fe164 the SEQRES residues give rise to problems in the saving as PDB files.