[chimerax-users] label_seq_id in mmcif files for Chimera

Marcin Wojdyr wojdyr at gmail.com
Wed Jul 8 12:06:08 PDT 2020


Hi Tom,

I don't want to continue it for too long, but I need to comment on this:

> That documentation says it is used by the 60 mmCIF tables I copied below -- if you don't included it then none of those tables can refer to a specific residue.

They can - by using different identifiers, the ones inherited from the
PDB format. Moreover, if the residue that you refer to is HOH you have
to use different identifiers, because label_seq_id is null (.) for
ligands and waters. It cannot be used to refer to a specific water
molecule.

Marcin


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