PDB_READ
Read Protein Database File

PDB_READ is a FORTRAN90 library which reads the ATOM records from a Protein Data Bank (PDB) file.

Licensing:

The computer code and data files described and made available on this web page are distributed under the GNU LGPL license.

Languages:

PDB_READ is available in a FORTRAN90 version.

Related Data and Programs:

PDB, a data directory which contains a description and examples of the PDB format.

PDB_EXTRACT, a FORTRAN90 program which can extract certain records from a PDB file.

PDB_TO_XYZ, a FORTRAN90 program which reads the coordinates of atoms in a PDB file and writes them out as an XYZ file.

XYZ_TO_PDB, a FORTRAN90 program which reads an XYZ file and writes the data as coordinates of atoms in a PDB file.

Reference:

1. http://www.rcsb.org/pdb/
   The Protein Data Bank Home Page.

Source Code:

• pdb_read.f90, the source code;
• pdb_read.sh, commands to compile the source code;

Examples and Tests:

• pdb_read_test.f90, the calling program;
• pdb_read_test.sh, commands to compile, link and run the calling program;
• pdb_read_test.txt, the sample output.
• 7tln.pdb, a sample PDB file.

List of Routines:

• CH_CAP capitalizes a single character.
• GET_UNIT returns a free FORTRAN unit number.
• PDB_CHECK truncates the PDB size data to internal maxima, if neccessary.
• PDB_INIT initializes data associated with a given PDB file.
• PDB_PRINT_COORD prints out the COORD array.
• PDB_PRINT_PRTATM prints out the PRTATM array.
• PDB_READ reads the ATOM records in a PDB file.
• PDB_SUMMARY prints a summary of the data read from a PDB file.
• S_EQI is a case insensitive comparison of two strings for equality.
• TIMESTAMP prints the current YMDHMS date as a time stamp.

You can go up one level to the FORTRAN90 source codes.