Mercurial > repos > chemteam > biomd_extract_clusters

comparison get_clusters.py @ 2:e0ecaf2d05fb draft default tip

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"planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit f1c3c88c7395f2e84cbc533199406aadb79c5c07"
author chemteam
date Fri, 13 Nov 2020 19:39:27 +0000
parents ad49025ba90d
children
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1:078dfd7fb26d 2:e0ecaf2d05fb
21 21
22 def main(): 22 def main():
23 parser = argparse.ArgumentParser() 23 parser = argparse.ArgumentParser()
24 parser.add_argument('--Z', required=True, 24 parser.add_argument('--Z', required=True,
25 help='File for cluster linkage array.') 25 help='File for cluster linkage array.')
26 parser.add_argument('--threshold', type=int, required=True, 26 parser.add_argument('--threshold', type=float, required=True,
27 help='Distance cutoff.') 27 help='Distance cutoff.')
28 parser.add_argument('--min-members', type=int, required=True, 28 parser.add_argument('--min-members', type=int, required=True,
29 help='Minimum number of members of the cluster.') 29 help='Minimum number of members of the cluster.')
30 parser.add_argument('--output', required=True, 30 parser.add_argument('--output', required=True,
31 help='Output file.') 31 help='Output file.')