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Biskit :: Dock :: ComplexRandomizer :: ComplexMinimizer :: Class ComplexMinimizer
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Class ComplexMinimizer

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Rigid-body minimize receptor and ligand of a Complex using soft vdW pot.

Instance Methods [hide private]
  __init__(self, com, debug=0, **params)
  prepare(self)
Prepare for calculation.
  cleanup(self)
Remove temporary files.
  finish(self)
When done, write result to disc.

Method Details [hide private]

__init__(self, com, debug=0, **params)
(Constructor)

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prepare(self)

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Prepare for calculation. Write input files.

cleanup(self)

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Remove temporary files.

finish(self)

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When done, write result to disc.

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