Class QuatSymmetryParameters
- java.lang.Object
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- org.biojava.nbio.structure.symmetry.core.QuatSymmetryParameters
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- All Implemented Interfaces:
Serializable
public class QuatSymmetryParameters extends Object implements Serializable
The QuatSymmetryParameters specify the options used for the detection of quaternary symmetry in structures using theQuatSymmetryDetector.- Author:
- Peter Rose, Aleix Lafita
- See Also:
- Serialized Form
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Constructor Summary
Constructors Constructor Description QuatSymmetryParameters()
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Method Summary
All Methods Instance Methods Concrete Methods Modifier and Type Method Description doublegetAngleThreshold()doublegetHelixRmsdThreshold()doublegetHelixRmsdToRiseRatio()doublegetLocalTimeLimit()doublegetLocalTimeStart()intgetMaximumLocalCombinations()doublegetMinimumHelixAngle()doublegetMinimumHelixRise()doublegetRmsdThreshold()booleanisLocalLimitsExceeded()booleanisLocalLimitsExceeded(Set<?> combinations)booleanisOnTheFly()On-the-fly Jmol bioassembly generation.voidsetAngleThreshold(double angleThreshold)voidsetHelixRmsdThreshold(double helixRmsdThreshold)voidsetHelixRmsdToRiseRatio(double helixRmsdToRiseRatio)voidsetLocalTimeLimit(double localTimeLimit)voidsetMaximumLocalCombinations(int maximumLocalCombinations)voidsetMinimumHelixAngle(double minimumHelixAngle)voidsetMinimumHelixRise(double minimumHelixRise)voidsetOnTheFly(boolean useJmolBioAssemblies)On-the-fly Jmol bioassembly generation.voidsetRmsdThreshold(double rmsdThreshold)StringtoString()voiduseLocalTimeLimit(double localTimeStart)
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Constructor Detail
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QuatSymmetryParameters
public QuatSymmetryParameters()
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Method Detail
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getRmsdThreshold
public double getRmsdThreshold()
- Returns:
- the rmsdThreshold
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setRmsdThreshold
public void setRmsdThreshold(double rmsdThreshold)
- Parameters:
rmsdThreshold- the rmsdThreshold to set
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getAngleThreshold
public double getAngleThreshold()
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setAngleThreshold
public void setAngleThreshold(double angleThreshold)
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getHelixRmsdThreshold
public double getHelixRmsdThreshold()
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setHelixRmsdThreshold
public void setHelixRmsdThreshold(double helixRmsdThreshold)
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getHelixRmsdToRiseRatio
public double getHelixRmsdToRiseRatio()
- Returns:
- the helixRmsdToRiseRatio
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setHelixRmsdToRiseRatio
public void setHelixRmsdToRiseRatio(double helixRmsdToRiseRatio)
- Parameters:
helixRmsdToRiseRatio- the helixRmsdToRiseRatio to set
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getMinimumHelixRise
public double getMinimumHelixRise()
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setMinimumHelixRise
public void setMinimumHelixRise(double minimumHelixRise)
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getMinimumHelixAngle
public double getMinimumHelixAngle()
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setMinimumHelixAngle
public void setMinimumHelixAngle(double minimumHelixAngle)
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getMaximumLocalCombinations
public int getMaximumLocalCombinations()
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setMaximumLocalCombinations
public void setMaximumLocalCombinations(int maximumLocalCombinations)
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getLocalTimeLimit
public double getLocalTimeLimit()
- Returns:
- the localTimeLimit
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setLocalTimeLimit
public void setLocalTimeLimit(double localTimeLimit)
- Parameters:
localTimeLimit- the localTimeLimit to set
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getLocalTimeStart
public double getLocalTimeStart()
- Returns:
- the localTimeStart
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useLocalTimeLimit
public void useLocalTimeLimit(double localTimeStart)
- Parameters:
localTimeStart- the time when local calculations started
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isLocalLimitsExceeded
public boolean isLocalLimitsExceeded(Set<?> combinations)
- Parameters:
combinations- a set of combinations considered fo far by the local symmetry search- Returns:
- true, if the number of combinations
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isLocalLimitsExceeded
public boolean isLocalLimitsExceeded()
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isOnTheFly
public boolean isOnTheFly()
On-the-fly Jmol bioassembly generation.- Returns:
- true if Jmol on the fly bioassembly generation is used
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setOnTheFly
public void setOnTheFly(boolean useJmolBioAssemblies)
On-the-fly Jmol bioassembly generation.- Parameters:
useJmolBioAssemblies- true if Jmol on the fly bioassembly generation is used, false otherwise
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