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bjornwallner / DockQ

DockQ is a single continuous quality measure for protein docked models based on the CAPRI evaluation protocol
MIT License
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AssertionError: Zero number of equivalent atoms in native and model ligand (chain B) 0 0. #5

Closed daniel1991zy closed 2 months ago

daniel1991zy commented 2 years ago

when I run the DockQ, it showed the error "AssertionError: Zero number of equivalent atoms in native and model ligand (chain B) 0 0. Check that the residue numbers in model and native is consistent." And I used the fix_numbering.pl tool to produce the model.pdb.fixed file. However, How did I use the file to fix the error?

hyeh20 commented 5 months ago

@daniel1991zy was wondering if you've ever found a work around for this? In my case, I'm my model structure has truncated chains compared to the native structure so I'm assuming this is causing the issue.

teemuronkko commented 4 months ago

@daniel1991zy @hyeh20 I also had this issue but like @hyeh20, my model structure also has truncated chains. Did either of you manage to solve it?

hyeh20 commented 4 months ago

@teemuronkko my work-around solution was just to truncate the native to the same length as my model structure.