Structure with tag designed_tag failed in 0 seconds with error: <class 'IndexError'>

[Deoyeh]

I am attempting to run the dl_interface_design.py tool on a set of designs I generated using RFdiffusion.

Attempting pose: test_binder_0 Struct with tag test_binder_0 failed in 0 seconds with error: <class 'IndexError'>

When I try to run the predict.py on the same file, I get Test_binder_0 has already been processed. Skipping

Please can I get some help resolving this issue? Each pdb file only contain one sequence for the each peptide.

[akshay-chenna]

Hi,

I have faced the same issue too:

Found GPU will run ProteinMPNN on GPU
Attempting pose: design_1_10
Struct with tag design_1_10 failed in 0 seconds with error: <class 'Exception'>

This happens when I specify the -seq_per_struct flag.

My command was as follows: ~/apps/dl_binder_design/mpnn_fr/dl_interface_design.py -silent my_designs.silent -outsilent mpnn_passed_1.silent -seqs_per_struct 20 -temperature 0.0001

The above runs perfectly fine without specifying -seq_per_struct.

Any help is appreciated.

Thanks, Akshay

PS: @Deoyeh to avoid the Skipping error, delete the checkpoint and idx files before rerunning.