Package AutoDockTools :: Package Utilities24 :: Module write_largest_cluster_ligand

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Module write_largest_cluster_ligand

source code

Functions

[hide private]

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

Variables

[hide private]

verbose = None

rms_tolerance = 1.5

dlg_list = glob.glob('*.dlg')

d = Docking()

clustering = d.clusterer.clustering_dict [rms_tolerance]

largest = clustering [0]

parser = d.ligMol.parser

lines = []

coords = d.ligMol.allAtoms.coords

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

Function Details

[hide private]

usage()

source code

Print helpful, accurate usage statement to stdout.

Variables Details

[hide private]

verbose

None

Value:

None

rms_tolerance

None

Value:

1.5

dlg_list

None

Value:

glob.glob('*.dlg')

d

None

Value:

Docking()

clustering

None

Value:

d.clusterer.clustering_dict [rms_tolerance]

largest

None

Value:

clustering [0]

parser

None

Value:

d.ligMol.parser

lines

None

Value:

[]

coords

None

Value:

d.ligMol.allAtoms.coords

outputfilename

None

Value:

d.ligMol.name+ '_BC.pdbqt'