Protein-protein docking

Here you will find how to use various protein-protein docking programs installed on the NBD cluster.

LightDock 0.9.0

Official webpage

External tutorial for this version

Installation path (NBD cluster):

/shared/work/NBD_Utilities/LightDock

Load environment:

source /shared/work/NBD_Utilities/miniconda3/etc/profile.d/conda.sh
conda activate /shared/work/NBD_Utilities/LightDock/envs/lightdock/

Voronota(VoroMQA) 1.22

Documentation

Installation path (NBD cluster):

/shared/work/NBD_Utilities/Voronota

Load environment:

source /shared/work/NBD_Utilities/Voronota/etc/configure.sh

LZerD

Documentation

Installation path (NBD cluster):

/shared/work/NBD_Utilities/LZerD

Load environment and copy required files to current directory:

source /shared/work/NBD_Utilities/LZerD/etc/configure.sh

Launch LZerD:

runlzerd.sh receptor.pdb ligand.pdb