Package AutoDockTools :: Package Utilities24 :: Module write_clustering_histogram_postscript

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Module write_clustering_histogram_postscript

source code

Functions

[hide private]

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

Variables

[hide private]

directory = None

rms_tolerance = 1.0

verbose = None

outputfilename = directory+ '_'+ str(rms_tolerance)+ '.ps'

dlg_list = glob.glob(directory+ '/*.dlg')

d = Docking()

mol = d.ligMol

crds = mol.allAtoms.coords [:]

s = d.ch.conformations

elist = []

dataList = []

reverseList = []

rLctr = 0

confL = d.ch.conformations

e = d.clusterer.energy_used

r = float(mol.min.get()), float(mol.max.get())

nodeList = mol.ehist.array

tstr = mol.name+ ' histogram'

top = Tkinter.Toplevel()

xlabel = 'ENERGY'

Function Details

[hide private]

usage()

source code

Print helpful, accurate usage statement to stdout.

Variables Details

[hide private]

rms_tolerance

None

Value:

1.0

verbose

None

Value:

None

outputfilename

None

Value:

directory+ '_'+ str(rms_tolerance)+ '.ps'

dlg_list

None

Value:

glob.glob(directory+ '/*.dlg')

d

None

Value:

Docking()

mol

None

Value:

d.ligMol

crds

None

Value:

mol.allAtoms.coords [:]

s

None

Value:

d.ch.conformations

elist

None

Value:

[]

dataList

None

Value:

[]

reverseList

None

Value:

[]

rLctr

None

Value:

confL

None

Value:

d.ch.conformations

e

None

Value:

d.clusterer.energy_used

r

None

Value:

float(mol.min.get()), float(mol.max.get())

nodeList

None

Value:

mol.ehist.array

tstr

None

Value:

mol.name+ ' histogram'

top

None

Value:

Tkinter.Toplevel()

xlabel

None

Value:

'ENERGY'