Class DisulphideBridgeCriteria


  • public class DisulphideBridgeCriteria
    extends java.lang.Object
    Class representing criteria for identifying disulphide bridges. See here.
    • 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.
    • 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()  
      • Methods inherited from class java.lang.Object

        getClass, notify, notifyAll, wait, wait, wait
    • Constructor Detail

      • DisulphideBridgeCriteria

        public DisulphideBridgeCriteria()
        Instantiates new disulphide bridges criteria using default boundary values. See here.
      • 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.
    • Method Detail

      • getDistanceBtwCAs

        public double getDistanceBtwCAs()
        Returns maximum distance between CA atoms of participating cysteines.
        Returns:
        Maximum distance between CA atoms of participating cysteines.
      • getDistanceBtwCBs

        public double getDistanceBtwCBs()
        Returns maximum distance between CB atoms of participating cysteines.
        Returns:
        Maximum distance between CB atoms of participating cysteines.
      • getMinDistanceBtwSulphurs

        public double getMinDistanceBtwSulphurs()
        Returns minimum distance between sulphur atoms of participating cysteines.
        Returns:
        Minimum distance between sulphur atoms of participating cysteines.
      • getMaxDistanceBtwSulphurs

        public double getMaxDistanceBtwSulphurs()
        Returns maximum distance between sulphur atoms of participating cysteines.
        Returns:
        Maximum distance between sulphur atoms of participating cysteines.
      • 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).
      • 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).
      • 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.
      • 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.
      • 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.
      • 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.
      • 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.
      • 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.
      • 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.
      • 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.
      • equals

        public boolean equals​(java.lang.Object o)
        Overrides:
        equals in class java.lang.Object
      • hashCode

        public int hashCode()
        Overrides:
        hashCode in class java.lang.Object
      • toString

        public java.lang.String toString()
        Overrides:
        toString in class java.lang.Object