StructureAlignment
CeCPMain
, CeSideChainMain
, OptimalCECPMain
public class CeMain extends AbstractStructureAlignment implements StructureAlignment
Modifier and Type | Field | Description |
---|---|---|
static java.lang.String |
algorithmName |
|
protected CECalculator |
calculator |
|
protected CeParameters |
params |
|
static java.lang.String |
version |
version history:
1.2 - Added more parameters to the command line, including -maxOptRMSD
1.1 - Additional parameters
1.0 - Initial port from C code
|
newline
Constructor | Description |
---|---|
CeMain() |
Modifier and Type | Method | Description |
---|---|---|
AFPChain |
align(Atom[] ca1,
Atom[] ca2) |
Run an alignment while specifying the atoms to be aligned.
|
AFPChain |
align(Atom[] ca1,
Atom[] ca2,
java.lang.Object param) |
Align ca2 onto ca1.
|
java.lang.String |
getAlgorithmName() |
Get the name of the Algorithm
|
CECalculator |
getCECalculator() |
|
ConfigStrucAligParams |
getParameters() |
Return the paramers for this algorithm.
|
java.lang.String |
getVersion() |
Get the Version information for this Algorithm.
|
static void |
main(java.lang.String[] args) |
Example Parameters:
-pdbFilePath /tmp -autoFetch -printCE -pdb1 1cnv -pdb2 3cna
|
void |
setParameters(ConfigStrucAligParams params) |
Set the default parameters for this algorithm to use
|
public static final java.lang.String algorithmName
public static final java.lang.String version
protected CeParameters params
protected CECalculator calculator
public static void main(java.lang.String[] args) throws java.lang.Exception
java.lang.Exception
public AFPChain align(Atom[] ca1, Atom[] ca2, java.lang.Object param) throws StructureException
align
in interface StructureAlignment
align
in class AbstractStructureAlignment
StructureException
public AFPChain align(Atom[] ca1, Atom[] ca2) throws StructureException
StructureAlignment
align
in interface StructureAlignment
align
in class AbstractStructureAlignment
StructureException
public java.lang.String getAlgorithmName()
StructureAlignment
getAlgorithmName
in interface StructureAlignment
getAlgorithmName
in class AbstractStructureAlignment
public ConfigStrucAligParams getParameters()
StructureAlignment
getParameters
in interface StructureAlignment
getParameters
in class AbstractStructureAlignment
public void setParameters(ConfigStrucAligParams params)
StructureAlignment
setParameters
in interface StructureAlignment
setParameters
in class AbstractStructureAlignment
public java.lang.String getVersion()
StructureAlignment
getVersion
in interface StructureAlignment
getVersion
in class AbstractStructureAlignment
public CECalculator getCECalculator()