pdb_to_xyz

pdb_to_xyz_test, a Fortran90 code which calls pdb_to_xyz(), 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.

Licensing:

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

Related Data and codes:

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.

Source Code:

• pdb_to_xyz_test.sh, runs all the tests;

TINY is a sample PDB file with 12 atoms.

• tiny.pdb, a sample PDB file;
• tiny.xyz, the corresponding XYZ file.
• tiny.txt, the output file.

MONOMER is a sample PDB file with 888 atoms.

• monomer.pdb, a sample PDB file;
• monomer.xyz, the corresponding XYZ file.
• monomer.txt, the output file.