Error when calculating Maximum training similarity TM scores #32
Description
After generating the sampled_pdb and running the bin/tmscore_training.py, the following error always occurs:
File "~/foldingdiff/foldingdiff/tmalign.py", line 54, in run_tmalign
return results_dict["Chain_2"] # Normalize by reference length
KeyError: 'Chain_2'
After handling this with exception, I find that no sequence contains this key. And the warning of Cannot parse file: ~/foldingdiff/data/cath/dompdb/2qe7G01. Chain number 0. also appears for each pdb file.
May I ask which part I might have missed or is there a bug the the data/code?