pwtools.io.write_xyz¶

pwtools.io.write_xyz(filename, obj, name='pwtools_dummy_mol_name')[source]¶

Write VMD-style [VMD] XYZ file.

length: Angstrom

Parameters:

filename (target file name)
obj (Trajectory or Structure)
name (str, optional) – Molecule name.

References

[VMD] http://www.ks.uiuc.edu/Research/vmd/plugins/molfile/xyzplugin.html