ProGAL.proteins.beltaStructure.loop
Class LoopStructure
java.lang.Object
ProGAL.proteins.beltaStructure.loop.LoopStructure
- All Implemented Interfaces:
- PartialStructure
public class LoopStructure
- extends java.lang.Object
- implements PartialStructure
Methods inherited from class java.lang.Object |
equals, getClass, hashCode, notify, notifyAll, wait, wait, wait |
secondaryStructure
public final SecondaryStructure secondaryStructure
segment1
public final SecondaryStructure.SSSegment segment1
segment2
public final SecondaryStructure.SSSegment segment2
targetAtoms
public Atom[] targetAtoms
LoopStructure
public LoopStructure(SecondaryStructure ss,
int seg1,
int seg2,
Atom[] targetAtoms)
LoopStructure
public LoopStructure(SecondaryStructure ss,
int seg1,
int seg2)
setFirstTransform
public void setFirstTransform(Matrix m)
toString
public java.lang.String toString()
- Overrides:
toString
in class java.lang.Object
isClosed
public boolean isClosed()
- Indicates if the loop is closed, ie. if the end of the loop matches up with the target atoms.
enforceClosureCCD
public void enforceClosureCCD()
enforceClosureAnalytically
public void enforceClosureAnalytically()
enforceClosureJacobian
public void enforceClosureJacobian()
rebuildCCD
public void rebuildCCD()
rebuildAnalytically
public void rebuildAnalytically()
rebuildJacobian
public void rebuildJacobian()
rebuildACO
public void rebuildACO()
updateAtoms
public void updateAtoms(AminoAcidChain chain)
- Specified by:
updateAtoms
in interface PartialStructure