Scripts: saveunitcell.py

#
# Write a PDB file containing unit cell symmetry copies of a molecule
# asymmetric unit read from a PDB file.  Run without graphics user inteface
# using shell command:
#
#       chimera --nogui file.pdb saveunitcell.py
#
from chimera import openModels, Molecule
mlist = openModels.list(modelTypes = [Molecule])

import PDBmatrices, UnitCell, Midas
for m in mlist:
  sm = PDBmatrices.pdb_space_group_matrices(m.pdbHeaders)
  UnitCell.place_molecule_copies(m, sm)

smlist = openModels.list(modelTypes = [Molecule])
Midas.write(smlist, mlist[0], '~/Desktop/sym.pdb')