PDB_TO_XYZ
Write PDB Atom Coordinates to XYZ File


PDB_TO_XYZ is a FORTRAN90 program which reads a PDB file, and, for each ATOM record in the file, extracts the atomic spatial coordinates and writes them to an XYZ file.

Usage:

pdb_to_xyz
starts the program, and prompts for the file names.
pdb_to_xyz file.pdb file.xyz
starts the program, reads the data from file.pdb, and creates file.xyz.

Licensing:

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

Languages:

PDB_TO_XYZ 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_READ, a FORTRAN90 program which can read the information in a PDB file.

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

XYZ_IO, a FORTRAN90 library which reads and writes XYZ files.

XYZ_TO_PDB, a FORTRAN90 program which reads a set of XYZ spatial coordinates, and rewrites them as ATOM records in a PDB file.

Reference:

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

Source Code:

Examples and Tests:

TINY is a sample PDB file with 12 atoms.

MONOMER is a sample PDB file with 888 atoms.

List of Routines:

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


Last revised on 09 January 2006.