Package AutoDockTools :: Package Utilities24 :: Module pdbqt_to_pdbqs

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Module pdbqt_to_pdbqs

source code

Functions

[hide private]

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

Variables

[hide private]

pdbqt_filename = None

verbose = None

pdbqs_filename = None

mols = Read(pdbqt_filename)

mol = mols [0]

solparer = SolvationParameterizer()

writer = PdbqsWriter()

fptr = open(pdbqs_filename, 'w')

ctr = 0

Function Details

[hide private]

usage()

source code

Print helpful, accurate usage statement to stdout.

Variables Details

[hide private]

pdbqt_filename

None

Value:

None

verbose

None

Value:

None

pdbqs_filename

None

Value:

None

mols

None

Value:

Read(pdbqt_filename)

mol

None

Value:

mols [0]

solparer

None

Value:

SolvationParameterizer()

writer

None

Value:

PdbqsWriter()

fptr

None

Value:

open(pdbqs_filename, 'w')

ctr

None

Value: