Package org.biojava.nbio.structure.io

Class PDBFileReader

  • All Implemented Interfaces:
    StructureIOFile, StructureProvider
    public class PDBFileReader
extends LocalPDBDirectory

    The wrapper class for parsing a PDB file.

    Several flags can be set for this class

    Example

    Q: How can I get a Structure object from a PDB file?

    A: 

     public Structure loadStructure(String pathToPDBFile){
        PDBFileReader pdbreader = new PDBFileReader();

        Structure structure = null;
        try{
                structure = pdbreader.getStructure(pathToPDBFile);
                System.out.println(structure);
        } catch (IOException e) {
                e.printStackTrace();
        }
        return structure;
 }
    Access PDB files from a directory, take care of compressed PDB files 
     public Structure loadStructureById() {
        String path = "/path/to/PDB/directory/";

        PDBFileReader pdbreader = new PDBFileReader();
        pdbreader.setPath(path);
        Structure structure = null;
        try {
                structure = pdbreader.getStructureById("5pti");
        } catch (IOException e){
                e.printStackTrace();
        }
        return structure;

 }
    Author:
    Andreas Prlic

    • Constructor Detail

      • PDBFileReader

        public PDBFileReader()
        Constructs a new PDBFileReader, initializing the extensions member variable. The path is initialized in the same way as UserConfiguration, i.e. to system property/environment variable UserConfiguration.PDB_DIR. Both autoFetch and splitDir are initialized to false

      • PDBFileReader

        public PDBFileReader​(String path)
        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