Improve argument handling and clean up unecessary files
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16
run_analysis.py
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16
run_analysis.py
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#!/usr/bin/env python3
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from auto_namd.functions import analysis_parser
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from auto_namd.job import get_next_job, get_jobs_from_path, create_job_instances
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def main(jobs_path, ffs_path, steps, namdbin, params):
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jobs_path = abs_path(jobs_path)
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job_dirs_l = get_jobs_from_path(jobs_path)
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jobs = create_job_instances(job_dirs_l)
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if __name__ == '__main__':
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main()
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