Covalent vs. coordination bonds

[Eric Pettersen]

The heme iron bonds in mmCIF 6fqf are covalent when they should be coordination bonds (like in the PDB format entry).

[Greg Couch]

Weird. They are metal coordination bonds in my build, which is develop branch from 11/12. After "sel :hem", the Selection Inspector shows 4 residues with 16 pseudobonds.

[Eric Pettersen]

In the 1.8 build they are covalent, but in the daily build from 10/29 they are coordination. I am closing this ticket, but will double check with the current daily build just to be sure. :-)

[Eric Pettersen]

Also fine in the current daily build

[Greg Couch]

I see the bug in 1.8 too. The last mmCIF commit that touched the metal code is a commit from 26 Jan 2023 with "Fix metal detection." The code depends on tmpl::Residue::has_metal() and calls pdb_connect::find_and_add_metal_coordination_bonds if there is a metal in the structure. So I would have expected 1.8, from June 2024, to work too.