Supported Applications

DockQ

Description

is a quality measure for protein, nucleic acid, and small molecule docking models that provides a single continuous scoring metric. The tool evaluates docking poses by computing interface RMSD, ligand RMSD, fraction of native contacts, and an overall DockQ score with interpretable quality thresholds. It supports automatic chain mapping optimization, handles multi-interface complexes, and can be used both as a command-line tool and Python module.
Usage
To list all executables provided by DockQ, run: $ sbgrid-list dockq
Installation
Use the following command to install this title with the CLI client: $ sbgrid-cli install dockq Available operating systems: Linux 64, OS X INTEL

Keywords

Computational Chemistry
Default Versions

Linux 64: 2.1.3 (288.5 MB)
OS X INTEL: 2.1.3 (228.5 MB)