autoPROC

 

Introduction

 

Usage

module load  misc/autoPROC/autoproc20180515
module load misc/ccp4/7.0
module load misc/xds/xds

source /sw/misc/ccp4/ccp4-7.0/bin/ccp4.setup-sh
source /sw/misc/autoproc/GPhL/autoPROC_snapshot_20180515/setup.sh

You can integrate this in a script as follows

cat pbs.001
#################
#!/bin/bash
#PBS -N AutoprocTest
#PBS -m abe
#PBS -M yourEmail@griffithuni.edu.au
#PBS -l select=1:ncpus=1:mem=8gb,walltime=00:05:00
#PBS -j oe


###
module load misc/ccp4/7.0
module load misc/xds/xds
module load  misc/autoPROC/autoproc20180515
source /sw/misc/ccp4/ccp4-7.0/bin/ccp4.setup-sh
source /sw/misc/autoproc/GPhL/autoPROC_snapshot_20180515/setup.sh

echo "Starting job: "
cd  $PBS_O_WORKDIR
process -checkdeps
################

 

Installation

module purge;sleep 4
module load misc/imagemagick/7.0.7
module load misc/ccp4/7.0

source /sw/misc/ccp4/ccp4-7.0/bin/ccp4.setup-sh

module load misc/ccp4/7.0
module load misc/xds/xds
module load load misc/ruby/2.2.2

cd /sw/misc/autoproc/GPhL/autoPROC_snapshot_20180515
Place the license file and rename it as .license
sh GPhL_autoPROC_snapshot_20180515_install.sh

... Normal termination GPhL_autoPROC_snapshot_20180515_install.sh ...

source /sw/misc/autoproc/GPhL/autoPROC_snapshot_20180515/setup.sh

Test:
=====

module load  misc/autoPROC/autoproc20180515

source /sw/misc/ccp4/ccp4-7.0/bin/ccp4.setup-sh
source /sw/misc/autoproc/GPhL/autoPROC_snapshot_20180515/setup.sh
process -checkdeps

 

 

Reference

  1. http://www.globalphasing.com/autoproc/download/academic/snapshot/CentOS6_64bit/index.html