Package org.biojava.nbio.structure.align
Class StrucAligParameters
- java.lang.Object
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- org.biojava.nbio.structure.align.StrucAligParameters
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public class StrucAligParameters extends Object
A class that contains all the parameters of the structure alignment algorithm.- Since:
- 1.5
- Version:
- %I% %G%
- Author:
- Andreas Prlic
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Constructor Summary
Constructors Constructor Description StrucAligParameters()
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Method Summary
All Methods Static Methods Instance Methods Concrete Methods Modifier and Type Method Description intgetAngleDiff()floatgetCreate_co()static StrucAligParametersgetDBSearchParameters()static StrucAligParametersgetDefaultParameters()floatgetDensityCutoff()intgetDiagonalDistance()intgetDiagonalDistance2()floatgetEvalCutoff()floatgetFragCompat()intgetFragmentLength()floatgetFragmentMiniDistance()floatgetGapExtension()floatgetGapOpen()intgetInitialK()doublegetJoinRMSCutoff()intgetMaxIter()intgetMaxrefine()intgetPermutationSize()intgetSeedFragmentLength()floatgetSeedRmsdCutoff()String[]getUsedAtomNames()booleanisDoAngleCheck()booleanisDoDensityCheck()booleanisDoDistanceCheck()booleanisDoRMSCheck()booleanisJoinFast()booleanisJoinPlo()booleanreduceInitialFragments()if this is set to false, the time spent to joint the initial fragments (step 2) is increased. - particular for large structures this increases calc. time a lot.voidsetAngleDiff(int angleDiff)voidsetCreate_co(float create_co)voidsetDensityCutoff(float densityCutoff)voidsetDiagonalDistance(int diagonalDistance)voidsetDiagonalDistance2(int diagonalDistance2)voidsetDoAngleCheck(boolean doAngleCheck)voidsetDoDensityCheck(boolean doDensityCheck)voidsetDoDistanceCheck(boolean doDistanceCheck)voidsetDoRMSCheck(boolean doRMSCheck)voidsetEvalCutoff(float evalCutoff)voidsetFragCompat(float fragCompat)voidsetFragmentLength(int fragmentLength)voidsetFragmentMiniDistance(float fragmentMiniDistance)voidsetGapExtension(float gapExtension)voidsetGapOpen(float gapOpen)voidsetInitialK(int initialK)voidsetJoinFast(boolean fastJoin)voidsetJoinPlo(boolean joinPlo)voidsetJoinRMSCutoff(double joinRMSCutoff)voidsetMaxIter(int maxIter)voidsetMaxrefine(int maxrefine)voidsetPermutationSize(int permutationSize)voidsetReduceInitialFragments(boolean reduceInitialFragments)voidsetSeedFragmentLength(int seedFragmentLength)voidsetSeedRmsdCutoff(float seedRmsdCutoff)voidsetUsedAtomNames(String[] usedAtomNames)StringtoString()
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Constructor Detail
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StrucAligParameters
public StrucAligParameters()
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Method Detail
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getDefaultParameters
public static StrucAligParameters getDefaultParameters()
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getDBSearchParameters
public static StrucAligParameters getDBSearchParameters()
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getDensityCutoff
public float getDensityCutoff()
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setDensityCutoff
public void setDensityCutoff(float densityCutoff)
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getInitialK
public int getInitialK()
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setInitialK
public void setInitialK(int initialK)
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getSeedFragmentLength
public int getSeedFragmentLength()
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isJoinFast
public boolean isJoinFast()
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setJoinFast
public void setJoinFast(boolean fastJoin)
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isJoinPlo
public boolean isJoinPlo()
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setJoinPlo
public void setJoinPlo(boolean joinPlo)
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setSeedFragmentLength
public void setSeedFragmentLength(int seedFragmentLength)
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getSeedRmsdCutoff
public float getSeedRmsdCutoff()
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setSeedRmsdCutoff
public void setSeedRmsdCutoff(float seedRmsdCutoff)
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isDoAngleCheck
public boolean isDoAngleCheck()
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setDoAngleCheck
public void setDoAngleCheck(boolean doAngleCheck)
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isDoDensityCheck
public boolean isDoDensityCheck()
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setDoDensityCheck
public void setDoDensityCheck(boolean doDensityCheck)
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isDoDistanceCheck
public boolean isDoDistanceCheck()
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setDoDistanceCheck
public void setDoDistanceCheck(boolean doDistanceCheck)
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isDoRMSCheck
public boolean isDoRMSCheck()
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setDoRMSCheck
public void setDoRMSCheck(boolean doRMSCheck)
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getJoinRMSCutoff
public double getJoinRMSCutoff()
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setJoinRMSCutoff
public void setJoinRMSCutoff(double joinRMSCutoff)
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getEvalCutoff
public float getEvalCutoff()
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setEvalCutoff
public void setEvalCutoff(float evalCutoff)
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getPermutationSize
public int getPermutationSize()
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setPermutationSize
public void setPermutationSize(int permutationSize)
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getGapExtension
public float getGapExtension()
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setGapExtension
public void setGapExtension(float gapExtension)
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getGapOpen
public float getGapOpen()
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setGapOpen
public void setGapOpen(float gapOpen)
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getMaxIter
public int getMaxIter()
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setMaxIter
public void setMaxIter(int maxIter)
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getCreate_co
public float getCreate_co()
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setCreate_co
public void setCreate_co(float create_co)
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reduceInitialFragments
public boolean reduceInitialFragments()
if this is set to false, the time spent to joint the initial fragments (step 2) is increased. - particular for large structures this increases calc. time a lot. advantage: more combinations of fragments are used.- Returns:
- a flag if the inital fragments should be reduced
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setReduceInitialFragments
public void setReduceInitialFragments(boolean reduceInitialFragments)
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getAngleDiff
public int getAngleDiff()
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setAngleDiff
public void setAngleDiff(int angleDiff)
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getFragCompat
public float getFragCompat()
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setFragCompat
public void setFragCompat(float fragCompat)
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getMaxrefine
public int getMaxrefine()
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setMaxrefine
public void setMaxrefine(int maxrefine)
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getUsedAtomNames
public String[] getUsedAtomNames()
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setUsedAtomNames
public void setUsedAtomNames(String[] usedAtomNames)
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getFragmentLength
public int getFragmentLength()
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setFragmentLength
public void setFragmentLength(int fragmentLength)
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getDiagonalDistance
public int getDiagonalDistance()
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setDiagonalDistance
public void setDiagonalDistance(int diagonalDistance)
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getDiagonalDistance2
public int getDiagonalDistance2()
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setDiagonalDistance2
public void setDiagonalDistance2(int diagonalDistance2)
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getFragmentMiniDistance
public float getFragmentMiniDistance()
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setFragmentMiniDistance
public void setFragmentMiniDistance(float fragmentMiniDistance)
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