Hi, when trying to relax a protein, I got the error message:
ERROR: unknown atom_name: 'CZH' in residue TRP
However, there was no atom with the name 'CZH' in that pdb, not in TRP or any other residue.
The problem turned out to be the following block:
ATOM 1 CAY GLU R 30 97.797 95.815 94.750 1.00 0.00 R
ATOM 2 HY1 GLU R 30 98.446 96.657 94.577 1.00 0.00 R
ATOM 3 HY2 GLU R 30 97.711 95.555 95.758 1.00 0.00 R
ATOM 4 HY3 GLU R 30 96.724 96.048 94.634 1.00 0.00 R
ATOM 5 CY GLU R 30 98.193 94.826 93.766 1.00 0.00 R
ATOM 6 OY GLU R 30 99.153 94.898 93.025 1.00 0.00 R
May I suggest to print the line from the pdb that is causing the error together with the error message?
That would be very helpful!
Thanks
PS: I use release 171 (2018.09)
That's what the error message is saying: TRP has no atom named CZH, but some other user input has Rosetta looking for atom CZH in a TRP residue. Because the error isn't a problem with the PDB file, there's no relevant line to print. Check your inputs, and remove whatever it is that's telling Rosetta to look for a CZH atom in a TRP residue. (If you need help finding this, please include the full output and your full inputs, so that we know what module is producing the error message.)