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Parser.py has some issues #36
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But if i make the above change I get "Buffer has wrong number of dimensions (expected 2, got 1)". So I am not sure whats the issue. |
Hi, could you attach the files you're trying to score? |
The files I am trying to process are 1cbv.pdb and the model file produced by rosettafold2 architecture. I am not able to attach them here :( |
Try this:
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I cannot help you further without the model unfortunately. You should be able to make a zip, then drag and drop it in a comment box here on the issue |
In model(model_00_pred.pdb): A corresponds to antigen chain, B corresponds to heavy chain, C corresponds to light chain. In native("1cbv.pdb): D = antigen, H = heavy, L = light. I need to calculate DockQ for antigen to heavy and antigen to light chains |
Hi @jaideepm009 Chain A in your model is a peptide with unknown amino acids:
But the native chain D is a NA (DNA?) molecule. So there is no way for DockQ to compare the two. The type of molecules need to be consistent across the two pdb files or it doesn't make sense to compare them |
Yes we just realised that yesterday as well! Thanks for taking the time out looking into the issue. |
I believe "r" should be replaced with "current_resname" in line 452 of parser.py file under DockQ directory?
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