phenix

Table of Contents

• Details
• Usage
• Example SLURM jobs
  • list_commands
  • regression_wizard

Details

• Homepage: http://www.phenix-online.org/
• Version available: 1.9-1692

PHENIX is a software suite for the automated determination of molecular structures using X-ray crystallography and other methods.

Usage

Please note that Phenix integration with Rosetta only works with non-mpi Rosetta.

Example SLURM jobs

list_commands

Job description (download)

#!/bin/bash
#SBATCH -J phenix_commands
#SBATCH -A uoa99999         # Project Account
#SBATCH --time=05:00:00     # Walltime
#SBATCH --mem-per-cpu=8132  # memory/cpu (in MB)

module load phenix/1.9-1692
source phenix_env.sh

srun phenix.commands

repository link

regression_wizard

Job description (download)

#!/bin/bash
#SBATCH -J phenix_commands
#SBATCH -A uoa99999         # Project Account
#SBATCH --time=05:00:00     # Walltime
#SBATCH --mem-per-cpu=8132  # memory/cpu (in MB)

module load Rosetta/3.5-gcc-4.4.6
module load phenix/1.9-1692
export PHENIX_ROSETTA_PATH=$MODULE_ROSETTA_ROOT
source phenix_env.sh

srun phenix_regression.wizards.test_command_line_rosetta_quick

repository link