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 __name__ == '__main__':
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',
