Package AutoDockTools :: Package Utilities24 :: Module prepare_receptor4

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Module prepare_receptor4

source code

Functions

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

Variables

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receptor_filename = None

verbose = None

repairs = ''

charges_to_add = 'gasteiger'

preserve_charge_types = None

cleanup = "nphs_lps_waters_nonstdres"

outputfilename = None

mode = 'automatic'

delete_single_nonstd_residues = None

mols = Read(receptor_filename)

mol = mols [0]

preserved = {}

preserved_types = preserve_charge_types.split(',')

ctr = 1

RPO = AD4ReceptorPreparation(mol, mode, repairs, charges_t...

Function Details

[hide private]

usage()

source code

Print helpful, accurate usage statement to stdout.

Variables Details

[hide private]

receptor_filename

None

Value:

None

verbose

None

Value:

None

repairs

None

Value:

''

charges_to_add

None

Value:

'gasteiger'

preserve_charge_types

None

Value:

None

cleanup

None

Value:

"nphs_lps_waters_nonstdres"

outputfilename

None

Value:

None

mode

None

Value:

'automatic'

delete_single_nonstd_residues

None

Value:

None

mols

None

Value:

Read(receptor_filename)

mol

None

Value:

mols [0]

preserved

None

Value:

{}

preserved_types

None

Value:

preserve_charge_types.split(',')

ctr

None

Value:

RPO

None

Value:

AD4ReceptorPreparation(mol, mode, repairs, charges_to_add, cleanup, ou
tputfilename= outputfilename, preserved= preserved, delete_single_nons
td_residues= delete_single_nonstd_residues)