Class DisulphideBridgeCriteria
- java.lang.Object
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- io.github.WeronikaJargielo.protein_interaction_finder.DisulphideBridgeCriteria
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public class DisulphideBridgeCriteria extends java.lang.Object
Class representing criteria for identifying disulphide bridges. See here.
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Constructor Summary
Constructors Constructor Description DisulphideBridgeCriteria()
Instantiates new disulphide bridges criteria using default boundary values.DisulphideBridgeCriteria(double minDistanceBtwSulphurs, double maxDistanceBtwSulphurs, double minAbsDihAngleSS, double maxAbsDihAngleSS, double lowerRangeMinAbsDihAngle1, double lowerRangeMaxAbsDihAngle1, double upperRangeMinAbsDihAngle1, double upperRangeMaxAbsDihAngle1, double lowerRangeMinAbsDihAngle2, double lowerRangeMaxAbsDihAngle2, double upperRangeMinAbsDihAngle2, double upperRangeMaxAbsDihAngle2)
Instantiates new disulphide bridges criteria using custom boundary values.
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Method Summary
All Methods Instance Methods Concrete Methods Modifier and Type Method Description boolean
equals(java.lang.Object o)
double
getDistanceBtwCAs()
Returns maximum distance between CA atoms of participating cysteines.double
getDistanceBtwCBs()
Returns maximum distance between CB atoms of participating cysteines.double
getLowerRangeMaxAbsDihAngle1()
Returns maximum dihedral angle between planes formed by N, CA, CB and CA, CB, S atoms of first cysteine in first range.double
getLowerRangeMaxAbsDihAngle2()
Returns maximum dihedral angle between planes formed by N, CA, CB and CA, CB, S atoms of second cysteine in first range.double
getLowerRangeMinAbsDihAngle1()
Returns minimum dihedral angle between planes formed by N, CA, CB and CA, CB, S atoms of first cysteine in first range.double
getLowerRangeMinAbsDihAngle2()
Returns minimum dihedral angle between planes formed by N, CA, CB and CA, CB, S atoms of second cysteine in first range.double
getMaxAbsDihAngleSS()
Returns maximum dihedral angle between planes formed by CB1, S1, S2 and S1, S2, CB2 atoms (1 - first cysteine, 2 - second cysteine).double
getMaxDistanceBtwSulphurs()
Returns maximum distance between sulphur atoms of participating cysteines.double
getMinAbsDihAngleSS()
Returns minimum dihedral angle between planes formed by CB1, S1, S2 and S1, S2, CB2 atoms (1 - first cysteine, 2 - second cysteine).double
getMinDistanceBtwSulphurs()
Returns minimum distance between sulphur atoms of participating cysteines.double
getUpperRangeMaxAbsDihAngle1()
Returns maximum dihedral angle between planes formed by N, CA, CB and CA, CB, S atoms of first cysteine in second range.double
getUpperRangeMaxAbsDihAngle2()
Returns maximum dihedral angle between planes formed by N, CA, CB and CA, CB, S atoms of second cysteine in second range.double
getUpperRangeMinAbsDihAngle1()
Returns minimum dihedral angle between planes formed by N, CA, CB and CA, CB, S atoms of first cysteine in second range.double
getUpperRangeMinAbsDihAngle2()
Returns minimum dihedral angle between planes formed by N, CA, CB and CA, CB, S atoms of second cysteine in second range.int
hashCode()
java.lang.String
toString()
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Constructor Detail
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DisulphideBridgeCriteria
public DisulphideBridgeCriteria()
Instantiates new disulphide bridges criteria using default boundary values. See here.
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DisulphideBridgeCriteria
public DisulphideBridgeCriteria(double minDistanceBtwSulphurs, double maxDistanceBtwSulphurs, double minAbsDihAngleSS, double maxAbsDihAngleSS, double lowerRangeMinAbsDihAngle1, double lowerRangeMaxAbsDihAngle1, double upperRangeMinAbsDihAngle1, double upperRangeMaxAbsDihAngle1, double lowerRangeMinAbsDihAngle2, double lowerRangeMaxAbsDihAngle2, double upperRangeMinAbsDihAngle2, double upperRangeMaxAbsDihAngle2)
Instantiates new disulphide bridges criteria using custom boundary values. See here.- Parameters:
minDistanceBtwSulphurs
- Minimum distance between sulphur atoms of participating cysteines.maxDistanceBtwSulphurs
- Maximum distance between sulphur atoms of participating cysteines.minAbsDihAngleSS
- Minimum dihedral angle between planes formed by CB1, S1, S2 and S1, S2, CB2 atoms (1 - first cysteine, 2 - second cysteine).maxAbsDihAngleSS
- Maximum dihedral angle between planes formed by CB1, S1, S2 and S1, S2, CB2 atoms (1 - first cysteine, 2 - second cysteine).lowerRangeMinAbsDihAngle1
- Minimum dihedral angle between planes formed by N, CA, CB and CA, CB, S atoms of first cysteine in first range.lowerRangeMaxAbsDihAngle1
- Maximum dihedral angle between planes formed by N, CA, CB and CA, CB, S atoms of first cysteine in first range.upperRangeMinAbsDihAngle1
- Minimum dihedral angle between planes formed by N, CA, CB and CA, CB, S atoms of first cysteine in second range.upperRangeMaxAbsDihAngle1
- Maximum dihedral angle between planes formed by N, CA, CB and CA, CB, S atoms of first cysteine in second range.lowerRangeMinAbsDihAngle2
- Minimum dihedral angle between planes formed by N, CA, CB and CA, CB, S atoms of second cysteine in first range.lowerRangeMaxAbsDihAngle2
- Maximum dihedral angle between planes formed by N, CA, CB and CA, CB, S atoms of second cysteine in first range.upperRangeMinAbsDihAngle2
- Minimum dihedral angle between planes formed by N, CA, CB and CA, CB, S atoms of second cysteine in second range.upperRangeMaxAbsDihAngle2
- Maximum dihedral angle between planes formed by N, CA, CB and CA, CB, S atoms of second cysteine in second range.
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Method Detail
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getDistanceBtwCAs
public double getDistanceBtwCAs()
Returns maximum distance between CA atoms of participating cysteines.- Returns:
- Maximum distance between CA atoms of participating cysteines.
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getDistanceBtwCBs
public double getDistanceBtwCBs()
Returns maximum distance between CB atoms of participating cysteines.- Returns:
- Maximum distance between CB atoms of participating cysteines.
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getMinDistanceBtwSulphurs
public double getMinDistanceBtwSulphurs()
Returns minimum distance between sulphur atoms of participating cysteines.- Returns:
- Minimum distance between sulphur atoms of participating cysteines.
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getMaxDistanceBtwSulphurs
public double getMaxDistanceBtwSulphurs()
Returns maximum distance between sulphur atoms of participating cysteines.- Returns:
- Maximum distance between sulphur atoms of participating cysteines.
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getMinAbsDihAngleSS
public double getMinAbsDihAngleSS()
Returns minimum dihedral angle between planes formed by CB1, S1, S2 and S1, S2, CB2 atoms (1 - first cysteine, 2 - second cysteine).- Returns:
- Minimum dihedral angle between planes formed by CB1, S1, S2 and S1, S2, CB2 atoms (1 - first cysteine, 2 - second cysteine).
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getMaxAbsDihAngleSS
public double getMaxAbsDihAngleSS()
Returns maximum dihedral angle between planes formed by CB1, S1, S2 and S1, S2, CB2 atoms (1 - first cysteine, 2 - second cysteine).- Returns:
- Maximum dihedral angle between planes formed by CB1, S1, S2 and S1, S2, CB2 atoms (1 - first cysteine, 2 - second cysteine).
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getLowerRangeMinAbsDihAngle1
public double getLowerRangeMinAbsDihAngle1()
Returns minimum dihedral angle between planes formed by N, CA, CB and CA, CB, S atoms of first cysteine in first range.- Returns:
- Minimum dihedral angle between planes formed by N, CA, CB and CA, CB, S atoms of first cysteine in first range.
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getLowerRangeMaxAbsDihAngle1
public double getLowerRangeMaxAbsDihAngle1()
Returns maximum dihedral angle between planes formed by N, CA, CB and CA, CB, S atoms of first cysteine in first range.- Returns:
- Maximum dihedral angle between planes formed by N, CA, CB and CA, CB, S atoms of first cysteine in first range.
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getUpperRangeMinAbsDihAngle1
public double getUpperRangeMinAbsDihAngle1()
Returns minimum dihedral angle between planes formed by N, CA, CB and CA, CB, S atoms of first cysteine in second range.- Returns:
- Minimum dihedral angle between planes formed by N, CA, CB and CA, CB, S atoms of first cysteine in second range.
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getUpperRangeMaxAbsDihAngle1
public double getUpperRangeMaxAbsDihAngle1()
Returns maximum dihedral angle between planes formed by N, CA, CB and CA, CB, S atoms of first cysteine in second range.- Returns:
- Maximum dihedral angle between planes formed by N, CA, CB and CA, CB, S atoms of first cysteine in second range.
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getLowerRangeMinAbsDihAngle2
public double getLowerRangeMinAbsDihAngle2()
Returns minimum dihedral angle between planes formed by N, CA, CB and CA, CB, S atoms of second cysteine in first range.- Returns:
- Minimum dihedral angle between planes formed by N, CA, CB and CA, CB, S atoms of second cysteine in first range.
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getLowerRangeMaxAbsDihAngle2
public double getLowerRangeMaxAbsDihAngle2()
Returns maximum dihedral angle between planes formed by N, CA, CB and CA, CB, S atoms of second cysteine in first range.- Returns:
- Maximum dihedral angle between planes formed by N, CA, CB and CA, CB, S atoms of second cysteine in first range.
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getUpperRangeMinAbsDihAngle2
public double getUpperRangeMinAbsDihAngle2()
Returns minimum dihedral angle between planes formed by N, CA, CB and CA, CB, S atoms of second cysteine in second range.- Returns:
- Minimum dihedral angle between planes formed by N, CA, CB and CA, CB, S atoms of second cysteine in second range.
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getUpperRangeMaxAbsDihAngle2
public double getUpperRangeMaxAbsDihAngle2()
Returns maximum dihedral angle between planes formed by N, CA, CB and CA, CB, S atoms of second cysteine in second range.- Returns:
- Maximum dihedral angle between planes formed by N, CA, CB and CA, CB, S atoms of second cysteine in second range.
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equals
public boolean equals(java.lang.Object o)
- Overrides:
equals
in classjava.lang.Object
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hashCode
public int hashCode()
- Overrides:
hashCode
in classjava.lang.Object
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toString
public java.lang.String toString()
- Overrides:
toString
in classjava.lang.Object
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