Divya's instructions for building macrocycles

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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
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