import pyMoleCuilder # ========================== Stored Session BEGIN ========================== i=1 print "wait1 begin" pyMoleCuilder.wait() i=2 print "wait1 end" pyMoleCuilder.CommandVerbose(str(i)) pyMoleCuilder.ParserSetOutputFormats("mpqc tremolo") print "wait2 begin" pyMoleCuilder.wait() i=i+1 print "wait2 end" pyMoleCuilder.CommandSetRandomNumbersDistribution("uniform_int", "p=1;") pyMoleCuilder.WorldChangeBox("20,0,0,20,0,20") pyMoleCuilder.AtomAdd("1", "1,1,1") pyMoleCuilder.SelectionAtomById("0 0") print "wait3 begin" pyMoleCuilder.wait() i=i+1 print "wait3 end" pyMoleCuilder.GraphSubgraphDissection() pyMoleCuilder.SelectionMoleculeOfAtom() pyMoleCuilder.FillRegularGrid("3 3 3", "0.5,0.5,0.5", "1", "0", "0", "0", "0") pyMoleCuilder.CommandVersion() print "wait4 begin" pyMoleCuilder.wait() i=i+1 print "wait4 end" # =========================== Stored Session END ===========================