Introduction

Usage

module load misc/galaxypepdock/galaxyPepDock

Sample PBS script

Please note that we have asked for 3 cpus in the script below. You need to alter these two lines if you want to change that.
#PBS -l select=1:ncpus=3:mem=12gb,walltime=100:00:00
NSLOTS=3

NSLOTS is needed as it will run on all cores if not specified which is not allowed in a shared system managed by pbs.

#!/bin/bash 
#PBS -m abe
#PBS -M YourEmail@griffith.edu.au
#PBS -N  PepDock
#PBS -q dljun@n060
#PBS -W group_list=deeplearning -A deeplearning
### Number of nodes:Number of CPUs:Number of threads per node.
#PBS -l select=1:ncpus=3:mem=12gb,walltime=100:00:00
cd $PBS_O_WORKDIR
NSLOTS=3
##module load  galaxyPepDock
module load misc/galaxypepdock/galaxyPepDock
GalaxyPepDock.centos7 -t test -p ACE2.pdb -s RBD-mimic1.fasta

Installation

Installed in /sw/misc/GalaxyPepDock

Reference