gosam is a bunch of Python scripts:
bicryst.py-- to generate atomistic model of grain boundary (bicrystal) with a coincidence site lattice (CSL) boundary in the PBC box,
monocryst.py-- to generate monocrystal in PBC box (atomistic model),
graingen.py-- create crystalline grains of given shape, with vacancies, thermal vibrations, etc.
mdfile.py-- convert between several file formats (AtomEye cfg, VASP POSCAR, LAMMPS, DL_POLY, XMOL XYZ).
csl.py-- to list coincident site lattice (CSL) grain boundaries in cubic crystals
Installation: download, unpack if you've downloaded zip file, and use from command line.
Usage: See documentation in the wiki and feel free to e-mail me with questions. Or open Github issue. Also, most of the programs print basic usage instructions when invoked without parameters.
License: GPLv2+ (I'll consider changing it to a more liberal license if there is a good reason)
you may cite
Marcin Wojdyr et al 2010 Modelling Simul. Mater. Sci. Eng. 18 075009
especially if you use
See also: debyer - a bunch of tools coded in C and C++