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joelib.io.types
Class PDB  view PDB download PDB.java

java.lang.Object
  extended byjoelib.io.types.PDB
All Implemented Interfaces:
joelib.io.MoleculeFileType

public class PDB
extends java.lang.Object
implements joelib.io.MoleculeFileType

Reader/Writer for Protein DataBank (PDB) files.


Field Summary
private static java.lang.String description
           
private static java.lang.String[] extensions
           
private  java.io.LineNumberReader lnr
           
private static org.apache.log4j.Category logger
          Obtain a suitable logger.
private  cformat.PrintfStream ps
           
 
Constructor Summary
PDB()
          Constructor for the Undefined object
 
Method Summary
 void closeReader()
          Description of the Method
 void closeWriter()
          Description of the Method
 void initReader(java.io.InputStream is)
          Description of the Method
 void initWriter(java.io.OutputStream os)
          Description of the Method
 java.lang.String inputDescription()
          Description of the Method
 java.lang.String[] inputFileExtensions()
          Description of the Method
 java.lang.String outputDescription()
          Description of the Method
 java.lang.String[] outputFileExtensions()
          Description of the Method
(package private) static boolean parseAtomRecord(java.lang.String line, joelib.molecule.JOEMol mol, int chainNum)
           
 java.lang.String read()
          Reads an molecule entry as (unparsed) String representation.
 boolean read(joelib.molecule.JOEMol mol)
          Description of the Method
 boolean read(joelib.molecule.JOEMol mol, java.lang.String title)
          Description of the Method
 boolean readable()
          Description of the Method
 boolean skipReaderEntry()
          Description of the Method
 boolean write(joelib.molecule.JOEMol mol)
          Description of the Method
 boolean write(joelib.molecule.JOEMol mol, java.lang.String title)
          Description of the Method
 boolean writeable()
          Description of the Method
 
Methods inherited from class java.lang.Object
clone, equals, finalize, getClass, hashCode, notify, notifyAll, toString, wait, wait, wait
 

Field Detail

logger

private static org.apache.log4j.Category logger
Obtain a suitable logger.


description

private static final java.lang.String description

extensions

private static final java.lang.String[] extensions

lnr

private java.io.LineNumberReader lnr

ps

private cformat.PrintfStream ps
Constructor Detail

PDB

public PDB()
Constructor for the Undefined object

Method Detail

closeReader

public void closeReader()
                 throws java.io.IOException
Description of the Method

Specified by:
closeReader in interface joelib.io.MoleculeFileType

closeWriter

public void closeWriter()
                 throws java.io.IOException
Description of the Method

Specified by:
closeWriter in interface joelib.io.MoleculeFileType

initReader

public void initReader(java.io.InputStream is)
                throws java.io.IOException
Description of the Method

Specified by:
initReader in interface joelib.io.MoleculeFileType

initWriter

public void initWriter(java.io.OutputStream os)
                throws java.io.IOException
Description of the Method

Specified by:
initWriter in interface joelib.io.MoleculeFileType

inputDescription

public java.lang.String inputDescription()
Description of the Method

Specified by:
inputDescription in interface joelib.io.MoleculeFileType

inputFileExtensions

public java.lang.String[] inputFileExtensions()
Description of the Method

Specified by:
inputFileExtensions in interface joelib.io.MoleculeFileType

outputDescription

public java.lang.String outputDescription()
Description of the Method

Specified by:
outputDescription in interface joelib.io.MoleculeFileType

outputFileExtensions

public java.lang.String[] outputFileExtensions()
Description of the Method

Specified by:
outputFileExtensions in interface joelib.io.MoleculeFileType

read

public java.lang.String read()
                      throws java.io.IOException
Reads an molecule entry as (unparsed) String representation.

Specified by:
read in interface joelib.io.MoleculeFileType

read

public boolean read(joelib.molecule.JOEMol mol)
             throws java.io.IOException,
                    joelib.io.MoleculeIOException
Description of the Method

Specified by:
read in interface joelib.io.MoleculeFileType

read

public boolean read(joelib.molecule.JOEMol mol,
                    java.lang.String title)
             throws java.io.IOException,
                    joelib.io.MoleculeIOException
Description of the Method

Specified by:
read in interface joelib.io.MoleculeFileType

readable

public boolean readable()
Description of the Method

Specified by:
readable in interface joelib.io.MoleculeFileType

skipReaderEntry

public boolean skipReaderEntry()
                        throws java.io.IOException
Description of the Method

Specified by:
skipReaderEntry in interface joelib.io.MoleculeFileType

write

public boolean write(joelib.molecule.JOEMol mol)
              throws java.io.IOException,
                     joelib.io.MoleculeIOException
Description of the Method

Specified by:
write in interface joelib.io.MoleculeFileType

write

public boolean write(joelib.molecule.JOEMol mol,
                     java.lang.String title)
              throws java.io.IOException,
                     joelib.io.MoleculeIOException
Description of the Method

Specified by:
write in interface joelib.io.MoleculeFileType

writeable

public boolean writeable()
Description of the Method

Specified by:
writeable in interface joelib.io.MoleculeFileType

parseAtomRecord

static boolean parseAtomRecord(java.lang.String line,
                               joelib.molecule.JOEMol mol,
                               int chainNum)