autoPROC
Â
Introduction
Â
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 ################
Â
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
Â
Â