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Studer Gabriel authored
Chain naming in biounit construction reserves 1.<au_cname> for the respective AU chain with identity transform applied. As of January 2024, there are 3 PDB entries (8qn6, 8x1h, 2c0x) where the same AU chain with identity transform occurs several times in the same biounit. This is likely an error in the respective mmCIF files as the resulting chains sit on top of each other. OST just names the FIRST occurence as 1.<au_cname>. A warning for that behaviour is also added to the documentation
Studer Gabriel authoredChain naming in biounit construction reserves 1.<au_cname> for the respective AU chain with identity transform applied. As of January 2024, there are 3 PDB entries (8qn6, 8x1h, 2c0x) where the same AU chain with identity transform occurs several times in the same biounit. This is likely an error in the respective mmCIF files as the resulting chains sit on top of each other. OST just names the FIRST occurence as 1.<au_cname>. A warning for that behaviour is also added to the documentation