pdb_to_xyz

pdb_to_xyz, a Fortran90 code which reads a Protein Data Bank (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 code, and prompts for the file names.

pdb_to_xyz file.pdb file.xyz

starts the code, reads the data from file.pdb, and creates file.xyz.

Licensing:

The information on this web page is distributed under the MIT license.

Languages:

pdb_to_xyz is available in a Fortran90 version.

Related Data and codes:

pdb_to_xyz_test

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

pdb_extract, a Fortran90 code which extracts certain records from a PDB file.

pdb_read, a Fortran90 code which reads the information in a PDB file.

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

xyz_io, a Fortran90 code which reads and writes XYZ files.

xyz_to_pdb, a Fortran90 code which reads a set of XYZ spatial coordinates, and rewrites them as ATOM records in a PDB file.

Reference:

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

Source Code:

• pdb_to_xyz.f90, the source code;
• pdb_to_xyz.sh, compiles the source code;