Package AutoDockTools :: Package Utilities24 :: Module prepare_flexdocking4

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Module prepare_flexdocking4

source code

Functions

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

Variables

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ligand_filename = None

receptor_filename = None

residues_to_move = None

verbose = None

disallow = ""

disallowed_pairs = ""

rigid_filename = None

flex_filename = None

l = Read(ligand_filename) [0]

r = Read(receptor_filename) [0]

res_names = residues_to_move.split('_')

d = {}

all_res = ResidueSet(all_res)

all_bnds = BondSet()

bnd_pairs = disallowed_pairs.split(':')

fdp = AD4FlexibleDockingPreparation(r, l, residues= all_re...

Function Details

[hide private]

usage()

source code

Print helpful, accurate usage statement to stdout.

Variables Details

[hide private]

ligand_filename

None

Value:

None

receptor_filename

None

Value:

None

residues_to_move

None

Value:

None

verbose

None

Value:

None

disallow

None

Value:

""

disallowed_pairs

None

Value:

""

rigid_filename

None

Value:

None

flex_filename

None

Value:

None

l

None

Value:

Read(ligand_filename) [0]

r

None

Value:

Read(receptor_filename) [0]

res_names

None

Value:

residues_to_move.split('_')

d

None

Value:

{}

all_res

None

Value:

ResidueSet(all_res)

all_bnds

None

Value:

BondSet()

bnd_pairs

None

Value:

disallowed_pairs.split(':')

fdp

None

Value:

AD4FlexibleDockingPreparation(r, l, residues= all_res, rigid_filename=
 rigid_filename, flex_filename= flex_filename, non_rotatable_bonds= al
l_bnds)