Package AutoDockTools :: Package Utilities24 :: Module energy_average_maps

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Module energy_average_maps

source code

Functions

[hide private]

usage()
Print helpful, accurate usage statement to stdout.

Variables

[hide private]

map_stem = 'weighted'

verbose = False

rt = 0.592

stems = {}

atomtypes = {}

all_maps = glob.glob("*.map")

all_stems = stems.keys()

all_types = atomtypes.keys()

all_lines = {}

xyz_fn = s+ '.maps.xyz'

fld_fn = s+ '.maps.fld'

fptr = open(fld_fn)

lines = fptr.readlines()

new_fn = map_stem+ '.maps.fld'

optr = open(new_fn, 'w')

Function Details

[hide private]

usage()

source code

Print helpful, accurate usage statement to stdout.

Variables Details

[hide private]

map_stem

None

Value:

'weighted'

verbose

None

Value:

False

rt

None

Value:

0.592

stems

None

Value:

{}

atomtypes

None

Value:

{}

all_maps

None

Value:

glob.glob("*.map")

all_stems

None

Value:

stems.keys()

all_types

None

Value:

atomtypes.keys()

all_lines

None

Value:

{}

xyz_fn

None

Value:

s+ '.maps.xyz'

fld_fn

None

Value:

s+ '.maps.fld'

fptr

None

Value:

open(fld_fn)

lines

None

Value:

fptr.readlines()

new_fn

None

Value:

map_stem+ '.maps.fld'

optr

None

Value:

open(new_fn, 'w')