if __name__ == '__main__': import sys from glob import glob from pychm.tools import OptionParser # Option Parsing useText =\ """ DOCME """ optparser = OptionParser(usage=useText, version='%prog 0.1') # Optional optparser.add_option('-I' ,'--input', default='auto', metavar='DIR', help='DIR where CHARMM .out files live.') optparser.add_option('-O', '--output', default='auto', metavar='PATH', help='PATH where figure image is written.') optparser.add_option('-T', '--title', default='auto', help='Title of output figure.') optparser.add_option('-F', '--format', default=False, choices=[False, 'svg', 'png'], help='Format of output figure, default is not to save.') # Parse (options, args) = optparser.parse_args(sys.argv) # Set defaults if options.input == 'auto': options.input = os.getcwd() if options.output == 'auto': options.output = None if options.title == 'auto':
import sys from pychm.tools import OptionParser # Option Parsing useText =\ """ '%prog --help' will give you a help message explaining the various options. "Required options" are marked as such, and defaults appear in [brackets]. """ optparser = OptionParser(usage=useText, version='%prog 0.1') # Required optparser.add_option('-I', '--input', required=True, metavar='PATH', help='PATH of input .pdb file') # Optional optparser.add_option('-O', '--output', default='auto', metavar='DIR', help='DIR where output .pdb files are written [$inputPath]') optparser.add_option('-F', '--informat', default='auto', choices=['auto', 'pdborg', 'charmm'], metavar='FORM', help="specify the .pdb formatting to expect [%default]") optparser.add_option('--outformat', default='charmm', choices=['charmm', 'pdborg', 'debug', 'xdebug', 'crd', 'xcrd'], metavar='FORM', help="specify the .pdb formatting to output [%default]") optparser.add_option('-M', '--model', default='auto', metavar='NUM', help='Specify the model NUM to produce output files from [%default]') optparser.add_option('--no_fix_chainid', action='store_false', default=True, help='Disable chainid auto fixing')