search

bjornwallner / DockQ

DockQ is a single continuous quality measure for protein docked models based on the CAPRI evaluation protocol
MIT License
186 stars 46 forks source link

I got KeyError: 'A' #19

Closed partrita closed 7 months ago

partrita commented 1 year ago

1st I tried.

./DockQ.py examples/1a14_pred.pdb examples/1a14.pdb
Multi-chain model need sets of chains to group
use -native_chain1 and/or -model_chain1 if you want a different mapping than 1-1
Model chains  : ['A', 'H']
Native chains : ['N', 'H', 'L', 'A']

than I tried this.

./DockQ.py examples/1a14_pred.pdb examples/1a14.pdb -native_chain1 A H -model_chain1 A H

Traceback (most recent call last):
  File "/home/fkt/Downloads/abdockgen/DockQ/./DockQ.py", line 732, in <module>
    main()    
    ^^^^^^
  File "/home/fkt/Downloads/abdockgen/DockQ/./DockQ.py", line 569, in main
    native=make_two_chain_pdb_perm(native,nat_group1,nat_group2)
           ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
  File "/home/fkt/Downloads/abdockgen/DockQ/./DockQ.py", line 447, in make_two_chain_pdb_perm
    f.write(change_chain(pdb_chains[c],"A"))
                         ~~~~~~~~~~^^^
KeyError: 'A'

Please help.