Package org.biojava.nbio.structure.asa
Class GroupAsa
- java.lang.Object
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- org.biojava.nbio.structure.asa.GroupAsa
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- All Implemented Interfaces:
java.io.Serializable
public class GroupAsa extends java.lang.Object implements java.io.Serializable
A class to store the results of ASA calculations, it can hold ASA values per atom present inGroup
- Author:
- duarte_j
- See Also:
- Serialized Form
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Method Summary
All Methods Instance Methods Concrete Methods Modifier and Type Method Description void
addAtomAsaC(double asa)
void
addAtomAsaU(double asa)
java.lang.Object
clone()
double
getAsaC()
Returns the ASA of the residue in the complexed statedouble
getAsaU()
Returns the ASA of the residue in the uncomplexed statejava.util.List<java.lang.Double>
getAtomAsaCs()
java.util.List<java.lang.Double>
getAtomAsaUs()
double
getBsa()
Returns the BSA value for this group, i.e.double
getBsaToAsaRatio()
Returns the bsa/asa(uncomplexed) ratio, i.e.Group
getGroup()
double
getRelativeAsaC()
Returns the relative (complexed) ASA, i.e.double
getRelativeAsaU()
Returns the relative (uncomplexed) ASA, i.e.void
setAsaC(double asaC)
void
setAsaU(double asaU)
void
setAtomAsaCs(java.util.List<java.lang.Double> atomAsaCs)
void
setAtomAsaUs(java.util.List<java.lang.Double> atomAsaUs)
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Constructor Detail
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GroupAsa
public GroupAsa(Group g)
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Method Detail
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getGroup
public Group getGroup()
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getAsaU
public double getAsaU()
Returns the ASA of the residue in the uncomplexed state- Returns:
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setAsaU
public void setAsaU(double asaU)
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getAsaC
public double getAsaC()
Returns the ASA of the residue in the complexed state- Returns:
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setAsaC
public void setAsaC(double asaC)
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addAtomAsaU
public void addAtomAsaU(double asa)
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addAtomAsaC
public void addAtomAsaC(double asa)
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getAtomAsaUs
public java.util.List<java.lang.Double> getAtomAsaUs()
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setAtomAsaUs
public void setAtomAsaUs(java.util.List<java.lang.Double> atomAsaUs)
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getAtomAsaCs
public java.util.List<java.lang.Double> getAtomAsaCs()
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setAtomAsaCs
public void setAtomAsaCs(java.util.List<java.lang.Double> atomAsaCs)
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getBsa
public double getBsa()
Returns the BSA value for this group, i.e. the difference between ASA uncomplexed and ASA complexed- Returns:
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getBsaToAsaRatio
public double getBsaToAsaRatio()
Returns the bsa/asa(uncomplexed) ratio, i.e. the ratio of burial of a residue upon complexation- Returns:
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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:
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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:
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clone
public java.lang.Object clone()
- Overrides:
clone
in classjava.lang.Object
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