Chain mismatch , KeyError: 'A'

[nonononanana]

Hi, I found "chain mismatch" problem in almost all complexes I tested. I've been stuck for days. I would very much appreciate it if anyone help me out.

After I ran ./DockQ.py model/7P79.pdb native/7P79.pdb, it showed:

7P79.pdb chain mismatch A B H Cchain mismatch A B H CTraceback (most recent call last): File "./DockQ.py", line 732, in main()
File "./DockQ.py", line 660, in main info=calc_DockQ(model,native,use_CA_only=use_CA_only,capri_peptide=capri_peptide) #False): File "./DockQ.py", line 234, in calc_DockQ if key in chain_res[chain]: # if key is present in sample KeyError: 'A'

Any tips for fixing this? Thank you so much.

[EdgarAraya]

Hi, did you manage to solve this?

[nonononanana]

Hi, did you manage to solve this?

Hey, yes. Just rename the chains to keep che chain name in model.pdb and native.pdb aligned.

[EdgarAraya]

Thanks! That worked.