XYZ_TO_PDB
Write PDB Atom Coordinates to XYZ File


XYZ_TO_PDB is a FORTRAN90 program which reads an XYZ file containing a list of spatial coordinates, and writes a PDB file containing ATOM records with the given coordinates.

The PDB file has many fields that must be filled in. This program attempts to fill in these fields with plausible values, but really only the atomic coordinates will have any meaning.

Usage:

xyz_to_pdb
starts the program, and prompts for the file names.

xyz_to_pdb file.xyz file.pdb
where illustrates how the filenames can be specified on the command line.

Licensing:

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

Languages:

XYZ_TO_PDB 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.

PDB_TO_XYZ, a FORTRAN90 program which reads the ATOM records from a PDB file, and writes the atomic coordinates to an XYZ 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.

Reference:

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

Source Code:

Examples and Tests:

TINY is a sample XYZ file with 12 sets of 3D coordinates.

MOMOMER is a sample XYZ file with 888 sets of 3D coordinates.

List of Routines:

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


Last revised on 09 January 2006.