Divya's instructions for building macrocycles

source /nfs/home/dkranthi/MACROCYCLE_BUILDING/082526_CHEMSTEP_BUILDING/building_env/bin/activate 

create building jobs

python /nfs/home/dkranthi/MACROCYCLE_BUILDING/submit/final_submit_building_docker.py --output_folder [output_dir] --bundle_size 100 --skip_name_check --scheduler slurm --container_software apptainer [input.smi]
sbatch building_array_job.sh