Module watermap_inp

Classes

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WaterMapInput

Functions

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print_deprecate(option, opt, value, parser)

main(opt)

Variables

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__doc__ = ...

FFLD14 = mm.mmcommon_get_ffld_name(OPLS_2005)

FFLD16 = mm.mmcommon_get_ffld_name(OPLSv2)

water_smarts = ["[H]O[H]"]

zob_water_smarts = ["[H]O([H])_[*]", "[H]O[H]_[*]"]

usage = ...

parser = cmdline.SingleDashOptionParser(usage)

jc_options = [cmdline.HOST,]

Variables Details

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doc

Value:

"""

This is a class that generates watermap input files and runs them thro
ugh jobcontrol. This also supports all the options in GUI.

Copyright Schrodinger, LLC. All rights reserved.

"""

usage

Value:

'''

  $SCHRODINGER/run -FROM watermap %prog -protein protein.mae -ligand l
igand.mae [options]

Description:
  %prog prepares and submits WaterMap Jobs

...