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Update cmd arg help info
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sampledock/__main__.py

Lines changed: 3 additions & 7 deletions
Original file line numberDiff line numberDiff line change
@@ -1,17 +1,13 @@
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import argparse
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parser = argparse.ArgumentParser(prog='Sample-n-Dock')
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parser = argparse.ArgumentParser(prog='sampledock')
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parser.add_argument("params",metavar = 'P', type=str,
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help="parameter file for Sample-n-Dock")
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help="parameter file for SampleDock. For a parameter file template, please see \
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https://raw.githubusercontent.com/atfrank/SampleDock/master/hyper.param")
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parser.add_argument("-o","--output", help="directory for output, default to ../SnD_designs",
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default = "../SnD_designs")
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a = parser.parse_args()
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if a.params is None:
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print('A parameter file is needed! \n'+
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'Example can be found in: https://github.com/atfrank/SampleDock/blob/master/hyper.param')
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exit()
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import torch
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import os
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import sys

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