org.biojava.bio.structure

Class PDBCrystallographicInfo

java.lang.Object

org.biojava.bio.structure.PDBCrystallographicInfo

All Implemented Interfaces:

java.io.Serializable

public class PDBCrystallographicInfo
extends java.lang.Object
implements java.io.Serializable

A class to hold crystallographic information about a PDB structure. The information is only meaningful if the space group is defined. Use the method isCrystallographic() to check if the associated PDB structure is of crystallographic origin. For example, these values are meaningless for NMR structures.

Author:

Peter Rose

See Also:

Serialized Form

Constructor Summary

Constructors

Constructor and Description
PDBCrystallographicInfo()

Method Summary

Methods

Modifier and Type	Method and Description
float	getA()
float	getAlpha()
float	getB()
float	getBeta()
float	getC()
float	getGamma()
java.lang.String	getSpaceGroup()
int	getZ()
boolean	isCrystallographic() Returns true if structure was solved by a crystallographic method, i.e., the values returned by this class are meaningful.
void	setA(float a)
void	setAlpha(float alpha)
void	setB(float b)
void	setBeta(float beta)
void	setC(float c)
void	setGamma(float gamma)
void	setSpaceGroup(java.lang.String spaceGroup)
void	setZ(int z)

Methods inherited from class java.lang.Object

clone, equals, finalize, getClass, hashCode, notify, notifyAll, toString, wait, wait, wait

Constructor Detail

PDBCrystallographicInfo

public PDBCrystallographicInfo()

Method Detail

getA

public float getA()

Returns:

the unit cell parameter a

setA

public void setA(float a)

Parameters:

a - the unit cell parameter a to set

getB

public float getB()

Returns:

the unit cell parameter b

setB

public void setB(float b)

Parameters:

b - the unit cell parameter b to set

getC

public float getC()

Returns:

the unit cell parameter c

setC

public void setC(float c)

Parameters:

c - the unit cell parameter c to set

getAlpha

public float getAlpha()

Returns:

the unit cell parameter alpha (degrees)

setAlpha

public void setAlpha(float alpha)

Parameters:

alpha - the unit cell parameter alpha to set

getBeta

public float getBeta()

Returns:

the unit cell parameter beta (degrees)

setBeta

public void setBeta(float beta)

Parameters:

beta - the unit cell parameter beta to set

getGamma

public float getGamma()

Returns:

the unit cell parameter gamma (degrees)

setGamma

public void setGamma(float gamma)

Parameters:

gamma - the unit cell parameter gamma to set

getSpaceGroup

public java.lang.String getSpaceGroup()

Returns:

the spaceGroup

setSpaceGroup

public void setSpaceGroup(java.lang.String spaceGroup)

Parameters:

spaceGroup - the spaceGroup to set

getZ

public int getZ()

Returns:

the z

setZ

public void setZ(int z)

Parameters:

z - the z to set

isCrystallographic

public boolean isCrystallographic()

Returns true if structure was solved by a crystallographic method, i.e., the values returned by this class are meaningful.

Returns:

the crystallographic