Package org.biojava.nbio.structure.asa

Class GroupAsa

java.lang.Object
org.biojava.nbio.structure.asa.GroupAsa
All Implemented Interfaces:
Serializable
public class GroupAsa extends Object implements Serializable
A class to store the results of ASA calculations, it can hold ASA values per atom present in Group
Author:
duarte_j
See Also:

  • Constructor Details

    • GroupAsa

      public GroupAsa(Group g)

  • Method Details

    • getGroup

      public Group getGroup()

    • getAsaU

      public double getAsaU()
      Returns the ASA of the residue in the uncomplexed state
      Returns:

    • setAsaU

      public void setAsaU(double asaU)

    • getAsaC

      public double getAsaC()
      Returns the ASA of the residue in the complexed state
      Returns:

    • setAsaC

      public void setAsaC(double asaC)

    • addAtomAsaU

      public void addAtomAsaU(double asa)

    • addAtomAsaC

      public void addAtomAsaC(double asa)

    • getAtomAsaUs

      public List<Double> getAtomAsaUs()

    • setAtomAsaUs

      public void setAtomAsaUs(List<Double> atomAsaUs)

    • getAtomAsaCs

      public List<Double> getAtomAsaCs()

    • setAtomAsaCs

      public void setAtomAsaCs(List<Double> atomAsaCs)

    • getBsa

      public double getBsa()
      Returns the BSA value for this group, i.e. the difference between ASA uncomplexed and ASA complexed
      Returns:

    • getBsaToAsaRatio

      public double getBsaToAsaRatio()
      Returns the bsa/asa(uncomplexed) ratio, i.e. the ratio of burial of a residue upon complexation
      Returns:

    • getRelativeAsaU

      public double getRelativeAsaU()
      Returns the relative (uncomplexed) ASA, i.e. the ASA of the residue with respect to its ASA in an extended tri-peptide conformation (GLY-x-GLY)
      Returns:

    • getRelativeAsaC

      public double getRelativeAsaC()
      Returns the relative (complexed) ASA, i.e. the ASA of the residue with respect to its ASA in an extended tri-peptide conformation (GLY-x-GLY)
      Returns:

    • clone

      public Object clone()
      Overrides:
      clone in class Object