httk.iface.jmol_if module

httk.iface.jmol_if.structure_to_jmol(iof, struct, extbonds=True, repeat=None, copies=None)[source]

Converts structure into jmol format.

Example output format::
load data ‘model’ 1 Computation1 Al 0 0 0 end ‘model’ { 4 4 4 } supercell “x, y, z ” unitcell [ 2.025 2.025 0 2.025 0 2.025 0 2.025 2.025 ] set slabByAtom TRUE unitcell {1/1 1/1 1/1} delete (NOT (unitcell OR connected(unitcell))) {connected(unitcell) AND NOT unitcell}.radius = 0 restrict cell={2 2 2} center visible zoom 0