scripts.data.postprocessing.batch_arr_dTERMen

Submit a batch array job on SLURM to run multiple batched dTERMen jobs.

Usage:

python batch_arr_dTERMen.py \
    --output_dir <dir_containing_etabs_folder> \
    --pdb_root <pdb_root> \
    --dtermen_data <dtermen_data_root> \
    [--batch_size <batch_size>]

See python batch_arr_dTERMen.py --help for more info.