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@@ -29,41 +29,51 @@ $ DockQ examples/1A2K_r_l_b.model.pdb examples/1A2K_r_l_b.pdb | |
**************************************************************** | ||
* DockQ * | ||
* Scoring function for protein-protein docking models * | ||
* Statistics on CAPRI data: * | ||
* 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: S. Basu and B. Wallner, DockQ: A quality measure for * | ||
* protein-protein docking models * | ||
* doi:10.1371/journal.pone.0161879 * | ||
* 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 : examples/1A2K_r_l_b.model.pdb | ||
Native : examples/1A2K_r_l_b.pdb | ||
Total DockQ over 3 native interfaces: 1.959 | ||
Total DockQ over 3 native interfaces: 0.653 with BAC:ABC model:native mapping | ||
Native chains: A, B | ||
Model chains: B, A | ||
DockQ_F1: 0.996 | ||
DockQ: 0.994 | ||
irms: 0.000 | ||
Lrms: 0.000 | ||
fnat: 0.983 | ||
Model chains: B, A | ||
DockQ: 0.994 | ||
irms: 0.000 | ||
Lrms: 0.000 | ||
fnat: 0.983 | ||
fnonnat: 0.008 | ||
clashes: 0.000 | ||
F1: 0.987 | ||
DockQ_F1: 0.996 | ||
Native chains: A, C | ||
Model chains: B, C | ||
DockQ_F1: 0.567 | ||
DockQ: 0.511 | ||
irms: 1.237 | ||
Lrms: 6.864 | ||
fnat: 0.333 | ||
Model chains: B, C | ||
DockQ: 0.511 | ||
irms: 1.237 | ||
Lrms: 6.864 | ||
fnat: 0.333 | ||
fnonnat: 0.000 | ||
clashes: 0.000 | ||
F1: 0.500 | ||
DockQ_F1: 0.567 | ||
Native chains: B, C | ||
Model chains: A, C | ||
DockQ_F1: 0.500 | ||
DockQ: 0.453 | ||
irms: 2.104 | ||
Lrms: 8.131 | ||
fnat: 0.500 | ||
Model chains: A, C | ||
DockQ: 0.453 | ||
irms: 2.104 | ||
Lrms: 8.131 | ||
fnat: 0.500 | ||
fnonnat: 0.107 | ||
clashes: 0.000 | ||
F1: 0.641 | ||
DockQ_F1: 0.500 | ||
``` | ||
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A more compact output option is available with the flag `--short`: | ||
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