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src/b/i/biskit-2.4/Biskit/Dock/XRefineComplex.py   biskit(Download)
"""work in progress!"""
 
from Biskit import Xplorer, XplorerError
from Biskit import PDBModel, PCRModel
import Biskit.tools as t
class XRefineComplex( Xplorer ):
    """
    Run XPlor refinement of a single docking solution.
    """
 

src/b/i/biskit-2.4/Biskit/Dock/ComplexRandomizer.py   biskit(Download)
import numpy.oldnumeric.random_array as ra
import numpy.oldnumeric as N
from Biskit import Xplorer, PCRModel
 
import tempfile
class ComplexMinimizer( Xplorer ):
    """
    Rigid-body minimize receptor and ligand of a Complex
    using soft vdW pot.
    """