import pyMoleCuilder # ========================== Stored Session BEGIN ========================== pyMoleCuilder.MoleculeLoad("/home/heber/tmp/MoleCuilderTestingGrounds/Alkane/test.in") pyMoleCuilder.Undo() pyMoleCuilder.MoleculeLoad("/home/heber/tmp/MoleCuilderTestingGrounds/Alkane_LongRange_open/alkane-1.pdb") pyMoleCuilder.SelectionAllAtoms() pyMoleCuilder.GraphCorrectBondDegree() pyMoleCuilder.FragmentationFragmentation("BondFragment", "3", "2", "1", "1", "", "5", "0", "0", "0") pyMoleCuilder.FragmentationFragmentationAutomation("127.0.0.1", "2050", "", "5", "3", "3", "0", "/home/heber/workspace_C/molecuilder/tests/regression/Fragmentation/ParseSaveFragmentationResults/pre/results.dat", "0", "0", "0", "0") # =========================== Stored Session END ===========================