Mandatory Parameters

Easy

molecules

default: ‘No default assigned, this parameter is mandatory’
type: list
title: Input Molecules
short description: The input molecules that will be used for docking.
long description: Molecules must be provided in PDB format. These PDB files can be single molecules or ensembles using the MODEL/ENDMDL statements.
group: No group assigned
explevel: easy

run_dir

default: ‘No default assigned, this parameter is mandatory’
type: dir
title: Run directory
short description: Folder to store the HADDOCK3 run
long description: The new folder that will be created to save the HADDOCK3 run
group: No group assigned
explevel: easy