xyz_to_pdb_test

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

Licensing:

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

Related Data and codes:

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

Source Code:

• xyz_to_pdb_test.sh, runs all the tests;

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

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

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

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