Package org.biojava.nbio.structure.xtal
Class UnitCellBoundingBox
- java.lang.Object
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- org.biojava.nbio.structure.xtal.UnitCellBoundingBox
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public class UnitCellBoundingBox extends Object
A class to contain the BoundingBoxes of all polymeric molecules in a full unit cell.- Author:
- Jose Duarte
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Constructor Summary
Constructors Constructor Description UnitCellBoundingBox(int numOperatorsSg, int numPolyChainsAu)
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Method Summary
All Methods Instance Methods Concrete Methods Modifier and Type Method Description BoundingBoxgetAuBoundingBox(int cellIdx)Get the AU BoundingBox for the given cell index (cellIdx=0 would be original AU) The AU BoundingBox is the BoundingBox that bounds all chains belonging to the AUBoundingBoxgetChainBoundingBox(int cellIdx, int chainIdx)Get the chain BoundingBox for the given cell index (cellIdx=0 would be original AU) and chain indexUnitCellBoundingBoxgetTranslatedBbs(javax.vecmath.Vector3d translation)Returns a new BoundingBoxes object containing the same bounds as this BoundingBoxes object translated by the given translationvoidsetBbs(Structure structure, javax.vecmath.Matrix4d[] ops, boolean includeHetAtoms)
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Constructor Detail
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UnitCellBoundingBox
public UnitCellBoundingBox(int numOperatorsSg, int numPolyChainsAu)
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Method Detail
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setBbs
public void setBbs(Structure structure, javax.vecmath.Matrix4d[] ops, boolean includeHetAtoms)
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getChainBoundingBox
public BoundingBox getChainBoundingBox(int cellIdx, int chainIdx)
Get the chain BoundingBox for the given cell index (cellIdx=0 would be original AU) and chain index- Parameters:
cellIdx-chainIdx-- Returns:
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getAuBoundingBox
public BoundingBox getAuBoundingBox(int cellIdx)
Get the AU BoundingBox for the given cell index (cellIdx=0 would be original AU) The AU BoundingBox is the BoundingBox that bounds all chains belonging to the AU- Parameters:
cellIdx-- Returns:
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getTranslatedBbs
public UnitCellBoundingBox getTranslatedBbs(javax.vecmath.Vector3d translation)
Returns a new BoundingBoxes object containing the same bounds as this BoundingBoxes object translated by the given translation- Parameters:
translation-- Returns:
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