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