xyz_to_pdb

xyz_to_pdb, a Fortran90 code which reads an XYZ file containing a list of spatial coordinates, and writes a Protein Data Bank (PDB) file containing ATOM records with the given coordinates.

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

Usage:

xyz_to_pdb

xyz_to_pdb file.xyz file.pdb

• file.xyz is the input coordinate data;
• file.pdb is the PDB file created.

Licensing:

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

Languages:

xyz_to_pdb is available in a Fortran90 version.

Related Data and codes:

xyz_to_pdb_test

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

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

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

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

Reference:

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

Source Code:

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