Package org.biojava.nbio.structure.chem
Class ChemCompAtom
java.lang.Object
org.biojava.nbio.structure.chem.ChemCompAtom
- All Implemented Interfaces:
Serializable
,CifBean
Properties of an atom of a chemical component.
- Since:
- 6.0.0
- Author:
- Sebastian Bittrich
- See Also:
-
Constructor Summary
Constructors -
Method Summary
Modifier and TypeMethodDescriptionint
double
double
double
int
double
double
double
int
void
setAltAtomId
(String altAtomId) void
void
setCharge
(int charge) void
void
setModelCartnX
(double modelCartnX) void
setModelCartnY
(double modelCartnY) void
setModelCartnZ
(double modelCartnZ) void
setPdbxAlign
(int pdbxAlign) void
setPdbxAromaticFlag
(String pdbxAromaticFlag) void
setPdbxComponentAtomId
(String pdbxComponentAtomId) void
setPdbxComponentCompId
(String pdbxComponentCompId) void
setPdbxComponentId
(String pdbxComponentId) void
setPdbxLeavingAtomFlag
(String pdbxLeavingAtomFlag) void
setPdbxModelCartnXIdeal
(double pdbxModelCartnXIdeal) void
setPdbxModelCartnYIdeal
(double pdbxModelCartnYIdeal) void
setPdbxModelCartnZIdeal
(double pdbxModelCartnZIdeal) void
setPdbxOrdinal
(int pdbxOrdinal) void
setPdbxPolymerType
(String pdbxPolymerType) void
setPdbxRefId
(String pdbxRefId) void
setPdbxResidueNumbering
(String pdbxResidueNumbering) void
setPdbxStereoConfig
(String pdbxStereoConfig) void
setTypeSymbol
(String typeSymbol)
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Constructor Details
-
ChemCompAtom
public ChemCompAtom()
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-
Method Details
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getCompId
-
setCompId
-
getAtomId
-
setAtomId
-
getAltAtomId
-
setAltAtomId
-
getTypeSymbol
-
setTypeSymbol
-
getCharge
public int getCharge() -
setCharge
public void setCharge(int charge) -
getPdbxAlign
public int getPdbxAlign() -
setPdbxAlign
public void setPdbxAlign(int pdbxAlign) -
getPdbxAromaticFlag
-
setPdbxAromaticFlag
-
getPdbxLeavingAtomFlag
-
setPdbxLeavingAtomFlag
-
getPdbxStereoConfig
-
setPdbxStereoConfig
-
getModelCartnX
public double getModelCartnX() -
setModelCartnX
public void setModelCartnX(double modelCartnX) -
getModelCartnY
public double getModelCartnY() -
setModelCartnY
public void setModelCartnY(double modelCartnY) -
getModelCartnZ
public double getModelCartnZ() -
setModelCartnZ
public void setModelCartnZ(double modelCartnZ) -
getPdbxModelCartnXIdeal
public double getPdbxModelCartnXIdeal() -
setPdbxModelCartnXIdeal
public void setPdbxModelCartnXIdeal(double pdbxModelCartnXIdeal) -
getPdbxModelCartnYIdeal
public double getPdbxModelCartnYIdeal() -
setPdbxModelCartnYIdeal
public void setPdbxModelCartnYIdeal(double pdbxModelCartnYIdeal) -
getPdbxModelCartnZIdeal
public double getPdbxModelCartnZIdeal() -
setPdbxModelCartnZIdeal
public void setPdbxModelCartnZIdeal(double pdbxModelCartnZIdeal) -
getPdbxComponentCompId
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setPdbxComponentCompId
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getPdbxResidueNumbering
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setPdbxResidueNumbering
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getPdbxComponentAtomId
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setPdbxComponentAtomId
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getPdbxPolymerType
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setPdbxPolymerType
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getPdbxRefId
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setPdbxRefId
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getPdbxComponentId
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setPdbxComponentId
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getPdbxOrdinal
public int getPdbxOrdinal() -
setPdbxOrdinal
public void setPdbxOrdinal(int pdbxOrdinal)
-