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)