Skip to main content

How do I run multiple proteins at once? p_batch and pro_batch

pro_batch -h

usage: pro_batch [-h] [-custom script_path] [--sbatch | --no-sbatch] input_path

pro_batch accepts a directory containing PDB files, and executes identical MCCE runs in directories named after each respective PDB file. pro_batch creates
a high-level shell script. The user then edits the shell script to their liking, and executes it with the -custom flag.

positional arguments:
  input_path            Path to a directory containing PDB files.

options:
  -h, --help            show this help message and exit
  -custom script_path   Give a shell script with custom instructions. If not defined, a default script will be created and used.
  --sbatch, --no-sbatch
                        Turn on this flag to use a scheduler. (default: False)