Dear Jasmine, I fully agree with this recommendation:
> To use the wwPDB-assigned chain ID in publications, > _atom_site.auth_seq_id _atom_site.auth_comp_id, and > _atom_site.auth_asym_id can be used for the residue number, residue ID, > and chain ID, respectively. It would help a lot if the same was recommended in the mmCIF documentation. Currently, these IDs are described as non-mandatory, alternative IDs, which suggests (to those few software developers that read the documentation) that they shouldn't be relied upon. It'd also be good if the IDs that are recommended for use in publications weren't changed afterwards as it happened in this remediation. Carbohydrate remediation was indeed consulted with the community over a long time, but perhaps this particular change wasn't made clear. I always assumed that only the primary (wwPDB internal) IDs are to be changed, not the ones that were used in publications. Best regards, Marcin ######################################################################## To unsubscribe from the CCP4BB list, click the following link: https://www.jiscmail.ac.uk/cgi-bin/WA-JISC.exe?SUBED1=CCP4BB&A=1 This message was issued to members of www.jiscmail.ac.uk/CCP4BB, a mailing list hosted by www.jiscmail.ac.uk, terms & conditions are available at https://www.jiscmail.ac.uk/policyandsecurity/
