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src/p/y/Pymol-script-repo-HEAD/modules/ADT/AutoDockTools/Utilities24/prepare_flexreceptor4.py   Pymol-script-repo(Download)
from MolKit.stringSelector import CompoundStringSelector
 
from AutoDockTools.MoleculePreparation import AD4FlexibleReceptorPreparation
 
 
 
    if verbose:  print "beginning formatting ..."
    fdp = AD4FlexibleReceptorPreparation(r, residues=all_res, rigid_filename=rigid_filename, 
                                            flexres_filename=flexres_filename,
                                            non_rotatable_bonds=all_bnds)

src/p/y/Pymol-script-repo-HEAD/modules/ADT/AutoDockTools/Utilities24/prepare_covalent_flexres.py   Pymol-script-repo(Download)
from math import sqrt
 
from AutoDockTools.MoleculePreparation import AD4FlexibleReceptorPreparation
 
try:
    if verbose: print "flexible residue filename is %s" %flexres_filename
    #(3) use this class in AutoDockTools for writing formatted outputfiles... 
    frp = AD4FlexibleReceptorPreparation(rM, mode='interactive', 
                rigid_filename=rigid_filename,
                residues=[resP], flexres_filename=flexres_filename)