Adding new residue to propka3.1 database

[dimozino]

Hi,

I have a small question regarding the program Propka3.1, and I hope that you can help me with this.
I am inserting a novel residue in the program database, which is a retinal-lysine complex. Because this complex is "a bit" similar to lysine, I added the REL residue in the same way the LYS is added with the following exception: the charge in protonate.py and propka.cfg was set to 0.7 'REL-NZ':0.7. I also tested the charge 1.0 and 0.5. After changing the charge value, I recompiled the propka with

python setup.py install --user --install-scripts ~/bin

However, the pKa values of residues close to the NZ-part of REL (as well as the pka values of other residues) did not alter at all. It seems that propka does not see that I am modifying the charge. How can this be? Am I doing something wrong?

Best regards,
Dmitrii