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IndexError: tuple index out of range about dockq HOT 2 OPEN

jh2ee avatar jh2ee commented on September 2, 2024
IndexError: tuple index out of range

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Comments (2)

clami66 avatar clami66 commented on September 2, 2024

Hi, could you provide the pdb files and command you run so that I can try to reproduce the issue?

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clami66 avatar clami66 commented on September 2, 2024

Sorry, I can't reproduce your problem. Here is what I get when I run your example:

~$ DockQ 2PVC_B_7_D.out.decoy.271.pdb 2PVC_B_D.pdb
WARNING:root:Some chains have a limited number of sequence mismatches and are treated as non-homologous. 
Try increasing the --allowed_mismatches for the following: Model chain D, native chain B: 2 mismatches, Model chain B, native chain D: 2 mismatches
if they should be treated as homologous.
****************************************************************
*                       DockQ                                  *
*   Docking scoring for biomolecular models                    *
*   DockQ score legend:                                        *
*    0.00 <= DockQ <  0.23 - Incorrect                         *
*    0.23 <= DockQ <  0.49 - Acceptable quality                *
*    0.49 <= DockQ <  0.80 - Medium quality                    *
*            DockQ >= 0.80 - High quality                      *
*   Ref: Mirabello and Wallner, 'DockQ v2: Improved automatic  *
*   quality measure for protein multimers, nucleic acids       *
*   and small molecules'                                       *
*                                                              *
*   For comments, please email: [email protected]          *
****************************************************************

Model  : 2PVC_B_7_D.out.decoy.271.pdb
Native : 2PVC_B_D.pdb
Total DockQ over 1 native interfaces: 0.070 with BD:BD model:native mapping
Native chains: B, D
	Model chains: B, D
	DockQ: 0.070
	iRMSD: 6.312
	LRMSD: 19.639
	fnat: 0.000
	fnonnat: 1.000
	F1: 0.000
	clashes: 1

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