Package org.biojava.nbio.structure.io
Class PDBFileReader
java.lang.Object
org.biojava.nbio.structure.io.LocalPDBDirectory
org.biojava.nbio.structure.io.PDBFileReader
- All Implemented Interfaces:
StructureIOFile,StructureProvider
The wrapper class for parsing a PDB file.
Several flags can be set for this class
- Parameters can be set using the
LocalPDBDirectory.setFileParsingParameters(FileParsingParameters)
Example
Q: How can I get a Structure object from a PDB file?
A:
publicAccess PDB files from a directory, take care of compressed PDB filesStructureloadStructure(String pathToPDBFile){PDBFileReaderpdbreader = newPDBFileReader();Structurestructure = null; try{ structure = pdbreader.getStructure(pathToPDBFile); System.out.println(structure); } catch (IOException e) { e.printStackTrace(); } return structure; }
publicStructureloadStructureById() { String path = "/path/to/PDB/directory/";PDBFileReaderpdbreader = newPDBFileReader(); pdbreader.setPath(path);Structurestructure = null; try { structure = pdbreader.getStructureById("5pti"); } catch (IOException e){ e.printStackTrace(); } return structure; }
- Author:
- Andreas Prlic
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Nested Class Summary
Nested classes/interfaces inherited from class org.biojava.nbio.structure.io.LocalPDBDirectory
LocalPDBDirectory.FetchBehavior, LocalPDBDirectory.ObsoleteBehavior -
Field Summary
FieldsFields inherited from class org.biojava.nbio.structure.io.LocalPDBDirectory
DEFAULT_BCIF_FILE_SERVER, DEFAULT_PDB_FILE_SERVER, LAST_REMEDIATION_DATE, MIN_PDB_FILE_SIZE, PDB_FILE_SERVER_PROPERTY -
Constructor Summary
ConstructorsConstructorDescriptionConstructs a new PDBFileReader, initializing the extensions member variable.PDBFileReader(String path) Constructs a new PDBFileReader, initializing the extensions member variable. -
Method Summary
Modifier and TypeMethodDescriptionprotected StringgetFilename(String pdbId) Converts a PDB ID into a filename with the proper extensionprotected String[]Location of obsolete files within the directory, as an array of paths.protected String[]Location of split files within the directory, as an array of paths.getStructure(InputStream inStream) Handles the actual parsing of the file into a Structure object.Methods inherited from class org.biojava.nbio.structure.io.LocalPDBDirectory
addExtension, checkFileExists, checkFileExists, clearExtensions, deleteStructure, deleteStructure, downloadStructure, getDir, getExtensions, getFetchBehavior, getFileParsingParameters, getInputStream, getLocalFile, getLocalFile, getObsoleteBehavior, getPath, getServerName, getStructure, getStructure, getStructure, getStructureById, getStructureById, initPaths, prefetchStructure, setFetchBehavior, setFileParsingParameters, setObsoleteBehavior, setPath
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Field Details
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PDB_SPLIT_DIR
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PDB_OBSOLETE_DIR
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Constructor Details
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PDBFileReader
public PDBFileReader()Constructs a new PDBFileReader, initializing the extensions member variable. The path is initialized in the same way asUserConfiguration, i.e. to system property/environment variableUserConfiguration.PDB_DIR. Both autoFetch and splitDir are initialized to false -
PDBFileReader
Constructs a new PDBFileReader, initializing the extensions member variable. The path is initialized to the given path, both autoFetch and splitDir are initialized to false.If path is null, initialize using the system property/environment variable
UserConfiguration.PDB_DIR.- Parameters:
path- Path to the PDB file directory
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Method Details
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getFilename
Description copied from class:LocalPDBDirectoryConverts a PDB ID into a filename with the proper extension- Specified by:
getFilenamein classLocalPDBDirectory- Parameters:
pdbId-- Returns:
- The filename, e.g. "4hhb.pdb.gz"
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getStructure
Description copied from class:LocalPDBDirectoryHandles the actual parsing of the file into a Structure object.- Specified by:
getStructurein classLocalPDBDirectory- Parameters:
inStream-- Returns:
- Throws:
IOException
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getSplitDirPath
Description copied from class:LocalPDBDirectoryLocation of split files within the directory, as an array of paths. These will be joined with either slashes (for the URL) or the file separator (for directories). The returned results should be constant, to allow for caching.- Specified by:
getSplitDirPathin classLocalPDBDirectory- Returns:
- A list of directories, relative to the /pub/pdb directory on the server
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getObsoleteDirPath
Description copied from class:LocalPDBDirectoryLocation of obsolete files within the directory, as an array of paths. These will be joined with either slashes (for the URL) or the file separator (for directories). The returned results should be constant, to allow for caching.- Specified by:
getObsoleteDirPathin classLocalPDBDirectory- Returns:
- A list of directories, relative to the /pub/pdb directory on the server
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