Package AutoDockTools :: Package Utilities24 :: Module write_lowest_energy_ligand

[frames] | no frames]

Module write_lowest_energy_ligand

source code

Functions

[hide private]

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

Variables

[hide private]

dlgfilename = None

verbose = None

d = Docking()

key0 = d.clusterer.clustering_dict.keys() [0]

conf0 = d.clusterer.clustering_dict [key0] [0] [0]

parser = d.ligMol.parser

lines = []

coords = d.ligMol.allAtoms.coords

outputfilename = d.ligMol.name+ '_BE.pdbqt'

Function Details

[hide private]

usage()

source code

Print helpful, accurate usage statement to stdout.

Variables Details

[hide private]

dlgfilename

None

Value:

None

verbose

None

Value:

None

d

None

Value:

Docking()

key0

None

Value:

d.clusterer.clustering_dict.keys() [0]

conf0

None

Value:

d.clusterer.clustering_dict [key0] [0] [0]

parser

None

Value:

d.ligMol.parser

lines

None

Value:

[]

coords

None

Value:

d.ligMol.allAtoms.coords

outputfilename

None

Value:

d.ligMol.name+ '_BE.pdbqt'