DockQ: A quality measure for PPI complexes based on CAPRI evaluation protocol

Requires a fortran90 compiler (prefered: ifort)

Installation

git clone https://github.com/nemo8130/DockQ-fortran-code

cd DockQ-fortran-code/DockQ

./install.bash <fortran90-compiler> (Default: ifort)

Run with ./DockQ.exe <model> <native>

Example

bash$ ./DockQ.exe ./EXAMPLE_PDBS/model.pdb ./EXAMPLE_PDBS/native.pdb

•                   DockQ                           *
  

• Scoring function for protein-protein docking models *
• Statistics on CAPRI data: *
• 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               *
  

• Reference: Sankar Basu and Bjorn Wallner, DockQ:... *
• For comments, please email: [email protected] *

Number of equivalent residues at the interface: 103 (receptor: A) 88 (ligand: B) <=== defined at an all-atom atomic cutoff of 10.00 Å (iRMS) ===> fnat: 0.533: 32 correct out of 60 native contacts at the receptor-ligand interface fnonat: 0.238: 10 non-native out of 42 model contacts at the receptor-ligand interface Fnat= 0.533 LRMS_bb= 1.516 IRMS= 1.197 DockQ= 0.70442 CAPRI_class (fnat, iRMS, LRMS): Medium
CAPRI_class (DockQ) : Medium
outfile: fort.245 rename the outfile as you wish