Incorrect addition of extra hydrogen

[dargen3]

Hello,

I'd like to report a bug. Hydride in case the structure contains heteroresidues covalently bonded to the standard residue incorrectly assigns hydrogens. For example, the structure 9BFL protonated with

hydride --infile 9bfl.cif --outfile 9bfl_protonated.cif -v

looks like this:

I searched for the cause and found that the hydride (biotite) does not find a bond between the heteroresidue and the standard residue. In this case the heteroresidue is only the NH2 group.

An example with a larger heteroresidue and the same error is the structure 107D

[padix-key]

This is peculiar. Thanks for the report, I will look into this.