Package org.biojava.nbio.structure.align
Class CallableStructureAlignment
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- org.biojava.nbio.structure.align.CallableStructureAlignment
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Constructor Summary
Constructors Constructor Description CallableStructureAlignment()Default constructor.CallableStructureAlignment(Atom[] ca1, Atom[] ca2, String algorithmName, ConfigStrucAligParams params)Constructor for all-to-all alignment calculation.
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Method Summary
All Methods Instance Methods Concrete Methods Modifier and Type Method Description AFPChaincall()Atom[]getCa1()AtomCachegetCache()SynchronizedOutFilegetOutFile()PdbPairgetPair()voidsetAlgorithmName(String algorithmName)voidsetCa1(Atom[] ca1)voidsetCache(AtomCache cache)voidsetOutFile(SynchronizedOutFile outFile)voidsetOutputDir(File outFileF)voidsetPair(PdbPair pair)voidsetParameters(ConfigStrucAligParams parameters)
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Constructor Detail
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CallableStructureAlignment
public CallableStructureAlignment()
Default constructor. Used in DB search. Instantiates an empty object, everything has to be set independently.
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CallableStructureAlignment
public CallableStructureAlignment(Atom[] ca1, Atom[] ca2, String algorithmName, ConfigStrucAligParams params)
Constructor for all-to-all alignment calculation. Used for MultipleMC seed alignment calculation, for example.- Parameters:
ca1- Atoms to align of the first structureca2- Atoms to align of the second structurealgorithmName- the pairwise aligner algorithm to use, a new instance will be created for each thread.params- parameter bean for the alignment.
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Method Detail
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getOutFile
public SynchronizedOutFile getOutFile()
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setOutFile
public void setOutFile(SynchronizedOutFile outFile)
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setOutputDir
public void setOutputDir(File outFileF)
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setAlgorithmName
public void setAlgorithmName(String algorithmName)
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setParameters
public void setParameters(ConfigStrucAligParams parameters)
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