Package schrodinger :: Package application :: Package desmond :: Module cns_io
[hide private]
[frames] | no frames]

Module cns_io

Classes [hide private]
  CNSData
Variables [hide private]
  usage = ...
  parser = cmdline.SingleDashOptionParser(usage)
  input_cns = args [0]
  output_cns = args [1]
  output_st = args [2]
  cns = CNSData(input_cns)
  __package__ = 'schrodinger.application.desmond'
Variables Details [hide private]

usage

Value:
'''

  $SCHRODINGER/run %prog -wm watermap.mae -ligand ligand.mae -cavity w\
atermap-tpi.cns output.mae

Description:
  %prog compute scores from watermap and cavity

...